2-Methylbenzoyl chloride

HCID 70276

Notes Reactions

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Basic information

CAS: 37808-28-9
Standard SMILES: Cc1ccccc1C(=O)Cl
InChIKey: GPZXFICWCMCQPF-UHFFFAOYSA-N
Molecular formula: C8H7ClO
Average molar mass: 154.59 g/mol
Monoisotopic mass: 154.0185425

Names & identifiers

Preferred name: 2-Methylbenzoyl chloride
IUPAC: 2-methylbenzoyl chloride
English name: methylbenzoyl chloride
Molecular formula: C8H7ClO
Molecular weight: 154.59358

Names & synonyms

o-Toluoyl chloride2-Methylbenzoyl chloride933-88-0Benzoyl chloride, 2-methyl-o-Methylbenzoyl chloride2-Toluoyl chlorideo-Toluic acid chloride2-methylbenzoic acid chlorideEINECS 213-273-8J9YKN18E7RCCRIS 8618DTXSID1061314

Show more names

RefChem:475978DTXCID3048861213-273-8InChI=1/C8H7ClO/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1HMethylbenzoyl chloride37808-28-92-Methyl-Benzoyl ChlorideMFCD00000668

Database identifiers

CAS: 37808-28-9、933-88-0
PubChem CID: 70276
DTXSID: DTXSID1061314
UNII: J9YKN18E7R
EC Number: 213-273-8、253-674-5
Nikkaji: J60.353H

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 133

Experimental & physicochemical properties

Kovats Retention Index1180

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H290 (69.9%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (69.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (94.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.