CAS 14815-86-2 4-(Trichloromethyl)benzoyl chloride (HCID 84660)

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Basic information

CAS: 14815-86-2
Standard SMILES: O=C(Cl)c1ccc(C(Cl)(Cl)Cl)cc1
InChIKey: LNIAVCRNJMPGGT-UHFFFAOYSA-N
Molecular formula: C8H4Cl4O
Average molar mass: 257.9 g/mol
Monoisotopic mass: 255.90162547

Names & identifiers

Preferred name: 4-(Trichloromethyl)benzoyl chloride
IUPAC: 4-(trichloromethyl)benzoyl chloride
English name: 4-(trichloromethyl)benzoyl chloride
Molecular formula: C8H4Cl4O
Molecular weight: 257.93

Names & synonyms

4-(Trichloromethyl)benzoyl chloride14815-86-2EINECS 238-885-2DTXSID80163889NSC 152024RefChem:97576DTXCID1086380238-885-2p-(Trichloromethyl)benzoyl chlorideBenzoyl chloride, 4-(trichloromethyl)-MFCD25460286NSC-152024

Show more names

p-trichloromethyl-benzoyl chlorideNSC152024SCHEMBL104711Z73G3VSQ38p-trichloromethylbenzoyl chloride4-trichloromethylbenzoyl chlorideNS00024850

Database identifiers

CAS: 14815-86-2
PubChem CID: 84660
DTXSID: DTXSID80163889
UNII: Z73G3VSQ38
EC Number: 238-885-2
Nikkaji: J28.752K

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 191

Physicochemical properties

form: fused solid
color: White to off white
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 260 · P260-P280-P301+P330+P331
HS Code: 2916399090 · 2916399090

Safety & regulation

Safety data

hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H314-H335
Precautionary statements: P260-P280-P301+P330+P331

Chemistry & industry

Applications

Usesp-(Trichloromethyl)benzoyl Chloride are used in the synthetic preparation of 4-dichloromethylbenzoyl and 4-trichloromethylbenzoyl chloride as potential antimalaria.