142404-82-8

142404-82-8结构式

常用中文名：2-乙酰氨基-5-溴-4-甲基吡啶
常用英文名：2-acetamido-4-methyl-5-bromopyridine
CAS号：142404-82-8
分子式：C₈H₉BrN₂O
分子量：229.07400
相关类别：医药中间体杂环化合物吡啶类化合物甲基吡啶
发布时间：2018-12-31 16:40:22
更新时间：2024-01-04 16:49:16

化源商城直购

中文名	2-乙酰氨基-5-溴-4-甲基吡啶
英文名	N-(5-Bromo-4-methylpyridin-2-yl)acetamide
中文别名	N-(5-溴-4-甲基吡啶-2-基)乙酰胺
英文别名	N-(5-bromo-4-methylpyridin-2-yl)acetamide MFCD06798092

密度	1.545 g/cm3
沸点	372.5ºC at 760 mmHg
熔点	151-155ºC
分子式	C₈H₉BrN₂O
分子量	229.07400
闪点	179.1ºC
精确质量	227.99000
PSA	41.99000
LogP	2.18390
蒸汽压	9.6E-06mmHg at 25°C
折射率	1.606
储存条件	室温
分子结构	1、摩尔折射率：51.13 2、摩尔体积（cm³/mol）：148.1 3、等张比容（90.2K）：393.3 4、表面张力（dyne/cm）：49.6 5、极化率（10-24cm3）：20.26
计算化学	1.疏水参数计算参考值（XlogP）:1.4 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:7 6.拓扑分子极性表面积42 7.重原子数量:12 8.表面电荷:0 9.复杂度:174 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
更多	1. 熔点（ºC）：151-155

Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: 2-Acetylamino-5-bromo-4-methylpyridine
CAS-No.: 142404-82-8
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]
Acute toxicity, Oral (Category 4)
Skin irritation (Category 2)
Serious eye damage (Category 1)
Respiratory sensitization (Category 1)
Skin sensitization (Category 1)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Irritating to respiratory system and skin. Risk of serious damage to eyes. May cause
sensitization by inhalation and skin contact.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H302Harmful if swallowed.
H315Causes skin irritation.
H317May cause an allergic skin reaction.
H318Causes serious eye damage.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust.
P280Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22Harmful if swallowed.
R37/38Irritating to respiratory system and skin.
R41Risk of serious damage to eyes.
R42/43May cause sensitization by inhalation and skin contact.
S-phrase(s)
S26In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39Wear suitable protective clothing, gloves and eye/face protection.
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C8H9BrN2O
Molecular Weight: 229,07 g/mol
ComponentConcentration
2-Acetylamino-5-bromo-4-methylpyridine
CAS-No.142404-82-8-

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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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), Hydrogen bromide gas
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.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
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
Face shield and safety glasses 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
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. 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: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 151 - 155 °C - lit.
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: 1,619
octanol/water
p) Autoignitionno 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
Oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
The preceding data, or interpretation of data, was determined using Quantitative Structure Activity
Relationship (QSAR) modeling. Prolonged or repeated exposure may cause allergic reactions in certain
sensitive individuals.
May cause allergic respiratory and skin reactions
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
no data available
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.
IngestionHarmful if swallowed.
SkinMay be harmful if absorbed through skin. Causes skin irritation.
EyesCauses eye burns.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
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. Contact a licensed
professional waste disposal service to dispose of this material. 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

SECTION 15 - REGULATORY INFORMATION
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

符号	GHS05, GHS07, GHS08
信号词	Danger
危害声明	H302-H315-H317-H318-H334-H335
警示性声明	P261-P280-P305 + P351 + P338-P342 + P311
个人防护装备	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
危害码 (欧洲)	Xn: Harmful;
风险声明 (欧洲)	R22
安全声明 (欧洲)	26-36/37/39
危险品运输编码	NONH for all modes of transport
WGK德国	3
海关编码	2933399090

5327-32-2

~81%

142404-82-8

文献：ISHIHARA SANGYO KAISHA, LTD. Patent: WO2009/88103 A1, 2009 ; Location in patent: Page/Page column 15 ;

98198-48-2

108-24-7

~77%

142404-82-8

文献：Dunn; Norrie Advanced Synthesis and Catalysis, 1996 , vol. 338, # 7 p. 663 - 666

695-34-1

108-24-7

142404-82-8

文献：WO2012/106189 A1, ; Page/Page column 13 ;

上游产品 4
5327-32-2 98198-48-2 108-24-7 695-34-1
下游产品 5
452296-79-6 884495-14-1 100367-40-6 676491-46-6
917918-82-2

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

142404-82-8	142404-84-0
142404-81-7	5860-70-8
148612-16-2	4931-47-9
5327-32-2	98198-48-2
381679-24-9	160115-16-2