2,4,6-Trimethylbenzeneacetyl chloride

HCID 11030754CAS 52629-46-6

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Basic information

Standard SMILES: Cc1cc(C)c(CC(=O)Cl)c(C)c1
InChIKey: NXCYVLQDRHQRHC-UHFFFAOYSA-N
Molecular formula: C11H13ClO
Average molar mass: 196.677 g/mol
Monoisotopic mass: 196.06549272

Names & identifiers

Preferred name: 2,4,6-Trimethylbenzeneacetyl chloride
IUPAC: (2,4,6-Trimethylphenyl)acetyl chloride
English name: 2-Mesitylacetyl chloride
Molecular formula: C11H13ClO
Molecular weight: 196.67

Names & synonyms

2-MESITYLACETIC ACID2,4,6-TMPACVITAS-BB TBB000369MESITYLACETIC ACIDRARECHEM AL BO 0305MESITYLENEACETIC ACIDMesitylacetyl chloride2-Mesitylacetyl chlorideMESITY ACETI ACID/2,4,6-TMPAC2,4,6-TMPAC(Mesity aceti Acid)

Database identifiers

CAS: 52629-46-6
PubChem CID: 11030754
DTXSID: DTXSID201285261
EC Number: 462-070-2、610-879-8
Nikkaji: J1.708.081D

Properties

Physicochemical properties

Melting point: 167 · 167-171 °C(lit.)
Boiling point: 130 °C · 130 °C(Press: 10 Torr)
Density: 1.095 · 1.095
InChI: InChI=1S/C11H13ClO/c1-7-4-8(2)10(6-11(12)13)9(3)5-7/h4-5H,6H2,1-3H3
InChIKey: NXCYVLQDRHQRHC-UHFFFAOYSA-N
SMILES: C1(CC(Cl)=O)=C(C)C=C(C)C=C1C
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H315-H319-H331-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
REACH Registrations: Active

Safety & regulation

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi
safety_code: 22-24/25
Hazard statements: H301-H311-H315-H319-H331-H335
REACH Registrations: Active
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P337+P313-P361-P403+P233-P405-P501