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  • 3-Chlorobenzoyl chloride
Name:3-Chlorobenzoyl chloride
CAS No:618-46-2

PRODUCT DESCRIPTION

【Name】
3-Chlorobenzoyl chloride
【Iupac name】
3-chlorobenzoyl chloride
【CAS Registry number】
618-46-2
【Synonyms】
m-Chlorobenzoyl chloride
【EINECS(EC#)】
210-552-6
【Molecular Formula】
C7H4Cl2O (Products with the same molecular formula)
【Molecular Weight】
175.01206
【Inchi】
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
【InChIKey】
WHIHIKVIWVIIER-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC(=C1)Cl)C(=O)Cl
【MOL File】
618-46-2.mol

Chemical and Physical Properties

【Appearance】
Clear liquid
【Density】
1.36
【Melting Point】
44
【Boiling Point】
223-225℃
【Refractive Index】
1.568-1.57
【Flash Point】
110℃
【Water】
Decomposes
【Solubilities】
Decomposes
【Stability】
No data.
【HS Code】
29163900
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container. Corrosives area.
【Computed Properties】
Molecular Weight:175.01206 [g/mol]
Molecular Formula:C7H4Cl2O
XLogP3:3.7
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:1
Exact Mass:173.96392
MonoIsotopic Mass:173.96392
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Formal Charge:0
Complexity:136
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】
C:Corrosive;
【Risk Statements】
R34
【Safety Statements 】
S26;S28
【HazardClass】
8
【Hazard Note】

Corrosive

【Safety】
Hazard Codes:C
Risk Statements:34-36/37
34:Causes burns
36/37:Irritating to eyes and respiratory system
Safety Statements:26-36/37/39-45-28A
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)
RIDADR:UN 3265 8/PG 2
WGK Germany:1
HazardClass:8
PackingGroup:II
Hazard Note:Corrosive
HS Code:29163900
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
250kgs
【Specification】

clear colourless liquid
Safety Statements:26-36/37/39-45-28A
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)

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