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42908-86-1

42908-86-1结构式
42908-86-1结构式

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中文名 2-(氯甲基)苯甲酰氯
英文名 2-(Chloromethyl)benzoyl chloride
中文别名 邻氯甲基苯甲酰氯
英文别名 MFCD00152348
2-(3-METHOXY-PHENYL)-3-PIPERAZIN-1-YLMETHYL-BENZO-[D]IMIDAZO[2,1-B]THIAZOLE
1940781
GVR B1G
o-chloromethyl benzoyl chloride
2-(Chloromethyl)benzoyl chloride
ortho-(chloromethyl)benzoyl chloride
EINECS 255-998-2
2-Chloromethylbenzoyl chloride
Benzoyl chloride, 2-(chloromethyl)-
密度 1.3±0.1 g/cm3
沸点 282.8±23.0 °C at 760 mmHg
熔点 17 °C
分子式 C8H6Cl2O
分子量 189.039
闪点 113.9±22.9 °C
精确质量 187.979568
PSA 17.07000
LogP 2.48
外观性状 液体;Colorless to Light yellow clear liquid
蒸汽压 0.0±0.6 mmHg at 25°C
折射率 1.558
储存条件 存放于惰性气体之中;避免湿气 (分解)
计算化学

1.疏水参数计算参考值(XlogP):2.8

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积17.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:147

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


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: 2-(Chloromethyl)benzoyl chloride
CAS-No.: 42908-86-1
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)
Acute toxicity, Inhalation (Category 3)
Skin corrosion (Category 1B)
Carcinogenicity (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Toxic by inhalation. Causes burns. Limited evidence of a carcinogenic effect.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H302Harmful if swallowed.
H314Causes severe skin burns and eye damage.
H331Toxic if inhaled.
H351Suspected of causing cancer.
Precautionary statement(s)
P261Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280Wear protective gloves/ protective clothing/ 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.
P310Immediately 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.
R23Toxic by inhalation.
R34Causes burns.
R40Limited evidence of a carcinogenic effect.
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.
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C8H6Cl2O
Molecular Weight: 189,04 g/mol
ComponentConcentration
2-(Chloromethyl)benzoyl chloride
CAS-No.42908-86-1-
EC-No.255-998-2

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
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take victim
immediately to hospital. 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
Do NOT induce vomiting. 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
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin.
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIRE-FIGHTING 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, Hydrogen chloride 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
Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate
personnel to safe areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. 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 inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Hydrolyses readily. Moisture sensitive. hygroscopic Store under inert gas.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the
product.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). 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 respirator with
multi-purpose combination (US) or type ABEK (EN 14387) 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: clear, liquid
Colour: colourless
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingno data available
point
f) Initial boiling point and 135 °C at 0 hPa
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- no data available
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
Strong 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
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
Suspected human carcinogens
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
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation
Toxic if inhaled. Material is extremely destructive to the tissue of the
mucous membranes and upper respiratory tract.
Ingestion
Harmful if swallowed. Causes burns.
SkinMay be harmful if absorbed through skin. Causes skin burns.
EyesCauses eye burns.
Signs and Symptoms of Exposure
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin.
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.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2927IMDG: 2927IATA: 2927
UN proper shipping name
ADR/RID: TOXIC LIQUID, CORROSIVE, ORGANIC, N.O.S. (2-(Chloromethyl)benzoyl chloride)
IMDG: TOXIC LIQUID, CORROSIVE, ORGANIC, N.O.S. (2-(Chloromethyl)benzoyl chloride)
IATA:Toxic liquid, corrosive, organic, n.o.s. (2-(Chloromethyl)benzoyl chloride)
Transport hazard class(es)
ADR/RID: 6.1 (8)IMDG: 6.1 (8)IATA: 6.1 (8)
Packaging group
ADR/RID: IIIMDG: IIIATA: II
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 2011 Co. 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. Co., shall not be held liable for any damage
resulting from handling or from contact with the above product. See reverse side of invoice or packing slip
for additional terms and conditions of sale.
符号 GHS05 GHS06 GHS08
GHS05, GHS06, GHS08
信号词 Danger
危害声明 H302-H314-H331-H351
警示性声明 P261-P280-P305 + P351 + P338-P310
危害码 (欧洲) F,Xi
风险声明 (欧洲) R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin .
安全声明 (欧洲) S16-S26-S36
危险品运输编码 UN 3271 3/PG 2
WGK德国 3
包装等级 II
危险类别 3.1
海关编码 2916399090

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文献:Pietka-Ottlik, Magdalena; Potaczek, Piotr; Piasecki, Egbert; Mlochowski, Jacek Molecules, 2010 , vol. 15, # 11 p. 8214 - 8228

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文献:Del Soldato, Piero; Benedini, Francesca; Antognazza, Patrizia Patent: US2004/23933 A1, 2004 ;

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文献:Goldschmidt Chemiker-Zeitung, Chemische Apparatur, 1901 , vol. 25, p. 793

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文献:Du Pont de Nemours and Co. Patent: US2053269 , 1935 ;

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文献:Takahashi, Takashi; Minami, Ichiro; Tsuji, Jiro Tetrahedron Letters, 1981 , vol. 22, # 28 p. 2651 - 2654

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文献:Morgan; Porter Journal of the Chemical Society, 1926 , p. 1262

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文献:Morgan; Porter Journal of the Chemical Society, 1926 , p. 1262 Full Text Show Details Goldschmidt Chemiker-Zeitung, Chemische Apparatur, 1901 , vol. 25, p. 793
海关编码 2916399090
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申报要素 品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%