2,3,4-Trimethylbenzoyl chloride

HCID 20437149
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Basic information

CAS
90918-98-2
Standard SMILES
Cc1ccc(C(=O)Cl)c(C)c1C
InChIKey
DLZRDFNRFCGXNV-UHFFFAOYSA-N
Molecular formula
C10H11ClO
Average molar mass
182.64 g/mol
Monoisotopic mass
182.04984265

Names & identifiers

Preferred name
2,3,4-Trimethylbenzoyl chloride
IUPAC
2,3,4-trimethylbenzoyl chloride
English name
Benzoyl chloride, 2,3,4-trimethyl- (7CI,9CI)
Molecular formula
C10H11ClO
Molecular weight
182.65

Names & synonyms

2,3,4-trimethylbenzoyl chloride90918-98-2SCHEMBL1311470DTXSID70607121DLZRDFNRFCGXNV-UHFFFAOYSA-NDB-285982BENZOYL CHLORIDE, 2,3,4-TRIMETHYL-Benzoyl chloride, 2,3,4-trimethyl- (7CI,9CI)

Database identifiers

CAS
90918-98-2
PubChem CID
20437149
DTXSID
DTXSID70607121

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
278.5 · 278.5±9.0 °C(Predicted)
Density
1.109 · 1.109±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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