2-Methoxy-5-(trifluoromethoxy)benzoyl chloride

HCID 3580596

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Basic information

CAS: 191604-91-8
Standard SMILES: COc1ccc(OC(F)(F)F)cc1C(=O)Cl
InChIKey: RUAKPPHFBCDTSH-UHFFFAOYSA-N
Molecular formula: C9H6ClF3O3
Average molar mass: 254.59 g/mol
Monoisotopic mass: 253.99575639

Names & identifiers

Preferred name: 2-Methoxy-5-(trifluoromethoxy)benzoyl chloride
IUPAC: 2-methoxy-5-(trifluoromethoxy)benzoyl chloride
English name: 2-METHOXY-5-(TRIFLUOROMETHOXY)BENZOYL CHLORIDE
Molecular formula: C9H6ClF3O3
Molecular weight: 254.59

Names & synonyms

2-Methoxy-5-(trifluoromethoxy)benzoyl chloride191604-91-8MFCD041159592-methoxy-5-(trifluoromethoxy)benzoylchlorideSCHEMBL2580242DTXSID801246801SBB101466AKOS015956950JS-43012-Methoxy-5-trifluoromethoxybenzoyl ChlorideF342411Benzoyl chloride, 2-methoxy-5-(trifluoromethoxy)-

Database identifiers

CAS: 191604-91-8
PubChem CID: 3580596
DTXSID: DTXSID801246801

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 257

Physicochemical properties

Boiling point: 272.4 · 272.4±35.0 °C(Predicted)
Density: 1.412 · 1.412±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
HS Code: 2916399090 · 2916399090

Safety & regulation

Safety data

hs_code: 2916399090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H312-H314-H332
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501