127-79-7

• 常用中文名：磺胺甲基嘧啶
• 常用英文名：Sulfamerazine
• CAS号：127-79-7
• 分子式：C₁₁H₁₂N₄O₂S
• 分子量：264.304
• 相关类别： 原料药 人工合成抗感染类药 磺胺类药及增效剂
• 发布时间：2018-02-05 08:00:00
• 更新时间：2024-01-02 08:51:44
• 用作医药中间体
• 磺胺甲基嘧啶（RP-2632）是一种磺胺类抗菌剂。通过与对氨基苯甲酸（PABA）竞争结合二氢蝶酸合成酶（二氢叶酸合成酶）来抑制细菌合成二氢叶酸。 磺胺甲基嘧啶在性质上是抑菌的。 抑制二氢叶酸的合成会减少细菌核苷酸和DNA的合成。

名称

• 中文名: 磺胺甲基嘧啶
• 英文名: sulfamerazine
• 中文别名: 磺胺甲嘧啶
• 英文别名: 2-sulfanilamido-4-methylpyrimidine; Mesulfa; 4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide (N1-(4-Methylpyrimidin-2-yl)sulfanilamide; Mebacid; 4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide; SMI; A-310; METSULFA; Romezin; sulfamerazine; Benzenesulfonamide, 4-amino-N-(4-methyl-2-pyrimidinyl)-; Sulfamerazin; RP 2632; 4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide; sulphamerazine; 2643-RP; EINECS 204-866-2; DEBENAL; MFCD00023212

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 519.1±52.0 °C at 760 mmHg
• 熔点: 234-238°C
• 分子式: C₁₁H₁₂N₄O₂S
• 分子量: 264.304
• 闪点: 267.8±30.7 °C
• 精确质量: 264.068085
• PSA: 106.35000
• LogP: 0.34
• 外观性状: 白色或淡黄色结晶粉末
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.660
• 储存条件: 库房通风低温干燥
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：67.76

  2、 摩尔体积（m³/mol）：183.5

  3、 等张比容（90.2K）：542.6

  4、 表面张力（dyne/cm）：76.4

  5、 极化率（10^-24cm³）：26.86

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:6

  4.可旋转化学键数量:3

  5.互变异构体数量:6

  6.拓扑分子极性表面积106

  7.重原子数量:18

  8.表面电荷:0

  9.复杂度:360

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Sulfamerazine(RP-2632)是磺胺类抗菌素。
• 相关类别:
  信号通路 >> 抗感染 >> 细菌
  研究领域 >> 感染
• 参考文献:

  [1]. HALL, W.H. and W.W. SPINK, Sulfamerazine: clinical evaluation in 116 cases. Journal of the American Medical Association, 1943. 123(3): p. 125-131.

MSDS

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE Product identifiers Product name: Sulfamerazine CAS-No.: 127-79-7 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances Section2. HAZARDS IDENTIFICATION Classification of the substance or mixture Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP] Skin irritation (Category 2) Eye irritation (Category 2) Specific target organ toxicity - single exposure (Category 3) Classification according to EU Directives 67/548/EEC or 1999/45/EC Irritating to eyes, respiratory system and skin. Label elements Labelling according Regulation (EC) No 1272/2008 [CLP] Pictogram Signal wordWarning Hazard statement(s) H315Causes skin irritation. H319Causes serious eye irritation. H335May cause respiratory irritation. Precautionary statement(s) P261Avoid breathing dust. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R36/37/38Irritating to eyes, respiratory system and skin. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37Wear suitable protective clothing and gloves. Other hazards Possible sensitizer. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Synonyms: 4-Amino-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide N1-(4-Methylpyrimidin-2-yl)sulfanilamide Formula: C11H12N4O2S Molecular Weight: 264,30 g/mol ComponentConcentration Sulfamerazine CAS-No.127-79-7- EC-No.204-866-2 Section4. FIRST AID MEASURES Description of first aid measures General advice Consult a physician. Show this safety data sheet to the doctor in attendance. If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician. Most important symptoms and effects, both acute and delayed Nausea, Vomiting, Diarrhoea, Headache, Dizziness, Rash, Cyanosis Indication of any immediate medical attention and special treatment needed no data available Section5. FIREFIGHTING MEASURES Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, nitrogen oxides (NOx), Sulphur oxides Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available Section6. ACCIDENTAL RELEASE MEASURES Personal precautions, protective equipment and emergency procedures Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. Section7. HANDLING AND STORAGE Precautions for safe handling Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Light sensitive. Specific end use(s) no data available Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Personal protective equipment Eye/face protection Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Body Protection Impervious clothing., The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Section9. PHYSICAL AND CHEMICAL PROPERTIES Information on basic physical and chemical properties a) AppearanceForm: powder Colour: white b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 233 °C point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- log Pow: 0,728 octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. STABILITY AND REACTIVITY Reactivity no data available Chemical stability no data available Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available Section11. TOXICOLOGICAL INFORMATION Information on toxicological effects Acute toxicity Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitization no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity Reproductive toxicity - rat - Oral Paternal Effects: Spermatogenesis (including genetic material, sperm morphology,motility, and count). Reproductive toxicity - mouse - Oral Effects on Newborn: Other neonatal measures or effects. Specific target organ toxicity - single exposure Inhalation - May cause respiratory irritation. Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Potential health effects InhalationMay be harmful if inhaled. Causes respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. Causes skin irritation. EyesCauses serious eye irritation. Signs and Symptoms of Exposure Nausea, Vomiting, Diarrhoea, Headache, Dizziness, Rash, Cyanosis Additional Information RTECS: WP0750000 Section12. ECOLOGICAL INFORMATION Toxicity Toxicity to fishLC50 - Morone saxatilis - > 100 mg/l - 96 h Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment no data available Other adverse effects no data available Section13. DISPOSAL CONSIDERATIONS Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Contaminated packaging Dispose of as unused product. Section14. TRANSPORT INFORMATION UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine Pollutant: noIATA: no Special precautions for user no data available Section15. REGULATORY INFORMATION This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment no data available Section16. OTHER INFORMATION Further information Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

毒性和生态

毒理学数据: 1、急性毒性：大鼠皮下LD5O：1890mg/kg 大鼠经静脉注射LD5O：1100mg/kg 小鼠经口LD5O： 25gm /kg 小鼠经腹膜腔LD5O：1400mg/kg 小鼠皮下LD5O：1190mg/kg 2、其他多剂量毒性：猴子经口TDLO：45020mg/kg/17D-I 3、生殖毒性：大鼠（雄，交配前）经口TDLO：17934mg/kg/6W 小鼠（雌，受精后）经口TDLO： 6gm /kg/6-10D CHEMICAL IDENTIFICATION RTECS NUMBER : WP0750000 CHEMICAL NAME : Sulfanilamide, N(sup 1)-(4-methyl-2-pyrimidinyl)- CAS REGISTRY NUMBER : 127-79-7 BEILSTEIN REFERENCE NO. : 0249133 LAST UPDATED : 199701 DATA ITEMS CITED : 11 MOLECULAR FORMULA : C11-H12-N4-O2-S MOLECULAR WEIGHT : 264.33 WISWESSER LINE NOTATION : T6N CNJ BMSWR DZ& D1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1890 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 27,141,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 211,367,1950 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 25 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 94,338,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,213,1955 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1190 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ABMGAJ Acta Biologica et Medica Germanica. (Berlin, Ger. Dem. Rep.) V.1-41, 1958-82. For publisher information, see BBIADT. Volume(issue)/page/year: 27,141,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 45020 mg/kg/17D-I TOXIC EFFECTS : Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - changes in bladder weight Related to Chronic Data - death REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 81,17,1944 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 17934 mg/kg SEX/DURATION : male 6 week(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 81,259,1987 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 6 gm/kg SEX/DURATION : female 6-10 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - other neonatal measures or effects REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 101,362,1951 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80539 No. of Facilities: 963 (estimated) No. of Industries: 4 No. of Occupations: 8 No. of Employees: 4216 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80539 No. of Facilities: 48 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 707 (estimated) No. of Female Employees: 507 (estimated)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• RTECS号: WP0750000
• 海关编码: 2935009090

合成路线

上下游产品

上游产品  10
127-73-1 108-52-1 121-60-8 19077-97-5
7119-27-9 57-67-0 5436-21-5 13036-57-2
14001-63-9 857410-69-6
下游产品  2
127-73-1 78373-14-5

海关

海关编码	2935009090
中文概述	2935009090 其他磺（酰）胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
申报要素	品名, 成分含量, 用途
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%