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84-79-7生产厂家

84-79-7价格

84-79-7

84-79-7结构式
84-79-7结构式
  • 常用中文名:黄钟花醌
  • 常用英文名:Lapachol
  • CAS号:84-79-7
  • 分子式:C15H14O3
  • 分子量:242.270
  • 相关类别: 有机原料 醌类化合物
  • 发布时间:2018-03-01 08:00:00
  • 更新时间:2024-01-03 18:03:55
  • Lapachol是一种萘醌,最早从Tabebuia avellanedae(紫葳科)中分离得到,具有一定的抗感染和抗肿瘤活性。

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中文名 拉帕醇
英文名 Lapachol
中文别名 黄钟花醌
英文别名 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-
EINECS 201-563-7
MFCD00001679
2-Hydroxy-3-(3-méthyl-2-butèn-1-yl)-1,4-naphtoquinone
taiguicacid
Greenhartin
2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthoquinone
Greenharten
2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthochinone
Lapachol
Taigu Wood
1,4-Naphthoquinone, 2-hydroxy-3- (3-methyl-2-butenyl)-
1,4-Naphthalenedione, 2-hydroxy-3- (3-methyl-2-butenyl)-
2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
Tecomin
2-Hydroxy-3-(3-methylbut-2-en-1-yl)-1,4-naphthoquinone
描述 Lapachol是一种萘醌,最早从Tabebuia avellanedae(紫葳科)中分离得到,具有一定的抗感染和抗肿瘤活性。
相关类别
参考文献

[1]. Hidayat Hussain, Karsten Krohn,etc.Lapachol: an overview.ARKIVOC 2007 (ii) 145-171

密度 1.2±0.1 g/cm3
沸点 390.1±42.0 °C at 760 mmHg
熔点 141-143ºC(lit.)
分子式 C15H14O3
分子量 242.270
闪点 203.9±24.4 °C
精确质量 242.094299
PSA 54.37000
LogP 4.08
外观性状 白色至黄色粉末
蒸汽压 0.0±0.9 mmHg at 25°C
折射率 1.606
储存条件

常温

阴凉干燥处保存

稳定性

常温常压下稳定

水溶解性 ethanol: soluble10mg/mL, clear, light yellow to yellow
分子结构

1、 摩尔折射率:67.61

2、 摩尔体积(m3/mol):196.0

3、 等张比容(90.2K):524.3

4、 表面张力(dyne/cm):51.1

5、 介电常数:无可用

6、 偶极距(10 -24cm 3):无可用

7、 极化率:26.80

计算化学

1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:98

6.拓扑分子极性表面积54.4

7.重原子数量:18

8.表面电荷:0

9.复杂度:439

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. 性状:有色物质

2. 密度(g/mL,25℃):未确定

3. 相对蒸汽密度(g/mL,空气=1):未确定

4. 熔点(ºC):141-143

5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa):未确定

7. 折射率:-未确定

8. 闪点(ºF):未确定

9. 比旋光度(º):未确定

10. 自燃点或引燃温度(ºC):未确定

11. 蒸气压(mmHg,20ºC):未确定

12. 饱和蒸气压(kPa,20 ºC):未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC):未确定

15. 临界压力(MPa):未确定

16. 油水(辛醇/水)分配系数的对数值:未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V):未确定

19. 溶解性:未确定


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Lapachol
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No.: 84-79-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Dermal (Category 4), H312
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn HarmfulR20/21/22, R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
H302Harmful if swallowed.
H312Harmful in contact with skin.
H315Causes skin irritation.
H319Causes serious eye irritation.
H332Harmful if inhaled.
H335May cause respiratory irritation.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280Wear protective gloves/ protective clothing.
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
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Synonyms: Natural Yellow 16
2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone
Formula: C15H14O3
Molecular Weight: 242,27 g/mol
CAS-No.: 84-79-7
EC-No.: 201-563-7
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone
CAS-No.84-79-7Acute Tox. 4; Skin Irrit. 2; Eye<= 100 %
EC-No.201-563-7Irrit. 2; STOT SE 3; H302,
H312, H315, H319, H332,
H335
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone
CAS-No.84-79-7Xn, R20/21/22 - R36/37/38<= 100 %
EC-No.201-563-7
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: 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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: 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
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
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.

SECTION 7: 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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: 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
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
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).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: 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: 141 - 143 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration 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- no data available
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

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
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
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
LD50 Oral - mouse - 487 mg/kg
Remarks: Behavioral:Somnolence (general depressed activity). Diarrhoea Prolonged skin contact may
cause skin irritation and/or dermatitis.
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
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
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
Additional Information
RTECS: QL8750000
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

SECTION 12: 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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: 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.

SECTION 14: 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
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
For this product a chemical safety assessment was not carried out

SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox.Acute toxicity
Eye Irrit.Eye irritation
H302Harmful if swallowed.
H312Harmful in contact with skin.
H315Causes skin irritation.
H319Causes serious eye irritation.
H332Harmful if inhaled.
H335May cause respiratory irritation.
Skin Irrit.Skin irritation
Full text of R-phrases referred to under sections 2 and 3
XnHarmful
R20/21/22Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38Irritating to eyes, respiratory system and skin.
Further information
Copyright 2014 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.

毒理学数据:

1、 急性毒性:大鼠经口LDLo:1200mg/kg

小鼠经口LD50:487mg/kg

小鼠腹腔LD50:400mg/kg

2、 其他多剂量毒性:狗经口TDLo:24mg/kg/4W-I

猴子经口TDLo:12mg/kg/4W-I

生态学数据:

常对水是不危害的,若无政府许可,勿将材料排入周围环境

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL8750000
CHEMICAL NAME :
1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-
CAS REGISTRY NUMBER :
84-79-7
BEILSTEIN REFERENCE NO. :
2051889
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C15-H14-O3
MOLECULAR WEIGHT :
242.29
WISWESSER LINE NOTATION :
L66 BV EVJ CQ D2UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
487 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,570,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
24 gm/kg/4W-I
TOXIC EFFECTS :
Blood - normocytic anemia Blood - changes in other cell count (unspecified)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
12 gm/kg/4W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 26,539,1967

符号 GHS07
GHS07
信号词 Warning
危害声明 H302 + H312 + H332-H315-H319-H335
警示性声明 P261-P280-P305 + P351 + P338
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) R20/21/22
安全声明 (欧洲) 26-36
危险品运输编码 NONH for all modes of transport
WGK德国 3
RTECS号 QL8750000
海关编码 2914690090

由二元酚、酚和芳胺类氧化制取醌

海关编码 2914690090
中文概述 2914690090 其他醌. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
Summary 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%