3-Dimethylaminobenzoyl chloride

HCID 7010342
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
54263-82-0
Standard SMILES
CN(C)c1cccc(C(=O)Cl)c1
InChIKey
CUECQYFYMGJLJD-UHFFFAOYSA-N
Molecular formula
C9H10ClNO
Average molar mass
183.63 g/mol
Monoisotopic mass
183.04509162

Names & identifiers

Preferred name
3-Dimethylaminobenzoyl chloride
IUPAC
3-(dimethylamino)benzoyl chloride
English name
3-DIMETHYLAMINOBENZOYL CHLORIDE, 95
Molecular formula
C9H10ClNO
Molecular weight
183.63

Names & synonyms

3-DIMETHYLAMINOBENZOYL CHLORIDE54263-82-03-(dimethylamino)benzoyl chloride3-dimethylaminobenzoylchloride3-DIMETHYLAMINOBENZOYL CHLORIDE, 95Benzoyl chloride, 3-(dimethylamino)-MFCD02094023MFCD19442144m-dimethylaminobenzoyl chlorideSCHEMBL2205173-dimethylamino-benzoyl chlorideDTXSID30426633
Show more names
Benzoyl chloride, 3-(dimethylamino)- (9CI)
CUECQYFYMGJLJD-UHFFFAOYSA-NAKOS009159301BP-10206

Database identifiers

CAS
54263-82-0
PubChem CID
7010342
DTXSID
DTXSID30426633

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Melting point
138 · 138-140 °C
Boiling point
275.9 · 275.9±23.0 °C(Predicted)
Density
1.193 · 1.193±0.06 g/cm3(Predicted)
pka
3.26 · 3.26±0.10(Predicted)

Chemistry & industry

Suppliers2 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

Loading…