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  • 3-Chlorobenzyl chloride
Name:3-Chlorobenzyl chloride
CAS No:620-20-2

PRODUCT DESCRIPTION

【Name】
3-Chlorobenzyl chloride
【Iupac name】
1-chloro-3-(chloromethyl)benzene
【CAS Registry number】
620-20-2
【Synonyms】
1-chloro-3-(chloromethyl)-benzene
alpha,3-Dichlorotoluene
m-chlorobenzyl chloride
【EINECS(EC#)】
210-629-4
【Molecular Formula】
C7H6Cl2 (Products with the same molecular formula)
【Molecular Weight】
161.02854
【Inchi】
InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
【InChIKey】
DDGRAFHHXYIQQR-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC(=C1)Cl)CCl
【MOL File】
620-20-2.mol

Chemical and Physical Properties

【Appearance】
clear liquid
【Density】
1.27
【Melting Point】
69-71
【Boiling Point】
215-216℃
【Refractive Index】
1.554-1.556
【Flash Point】
98℃
【Water】
Insoluble AUTOIGNITION
【Solubilities】
Insoluble AUTOIGNITION
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【Storage temp】
Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
【Computed Properties】
Molecular Weight:161.02854 [g/mol]
Molecular Formula:C7H6Cl2
XLogP3:3.2
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:159.984656
MonoIsotopic Mass:159.984656
Topological Polar Surface Area:0
Heavy Atom Count:9
Formal Charge:0
Complexity:83
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R20/21/22;R36;R43;R51/53
【Safety Statements 】
S14;S26;S36/37/39;S61
【HazardClass】
6.1
【Hazard Note】

Corrosive/Lachrymatory

【Safety】
Hazard Codes:C,N,Xn
Risk Statements:34-51/53-43-36-20/21/22
34:Causes burns
51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
43:May cause sensitization by skin contact
36:Irritating to the eyes
20/21/22:Harmful by inhalation, in contact with skin and if swallowed
Safety Statements:26-36/37/39-45-61-14C
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61:Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR:UN 2235 6.1/PG 3
WGK Germany:3
HazardClass:6.1
PackingGroup:III
Hazard Note:Corrosive/Lachrymatory
【PackingGroup 】
III
【Sensitive】
Lachrymatory
【Transport】
UN 2235
【Specification】

Colorless to light yellow liqui
Safety Statements:26-36/37/39-45-61-14C
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61:Avoid release to the environment. Refer to special instructions safety data sheet

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