CAS 34857-66-4 4-(Trifluoromethyl)phenyl carbonochloridate (HCID 15917597)

Substructure search Find similar structures

Basic information

CAS: 34857-66-4
Standard SMILES: O=C(Cl)Oc1ccc(C(F)(F)F)cc1
InChIKey: LCISOMFIAQECOH-UHFFFAOYSA-N
Molecular formula: C8H4ClF3O2
Average molar mass: 224.56 g/mol
Monoisotopic mass: 223.98519171

Names & identifiers

Preferred name: 4-(Trifluoromethyl)phenyl carbonochloridate
IUPAC: [4-(trifluoromethyl)phenyl] carbonochloridate
English name: Carbonochloridic acid, 4-(trifluoromethyl)phenyl ester
Molecular formula: C8H4ClF3O2
Molecular weight: 224.56

Names & synonyms

4-(Trifluoromethyl)phenyl carbonochloridate34857-66-4DTXSID50579534RefChem:289534DTXCID80530299819-098-9[4-(trifluoromethyl)phenyl] carbonochloridateCarbonochloridic acid, 4-(trifluoromethyl)phenyl ester4-trifluoromethylphenyl chloroformateSCHEMBL2236279MFCD204838114-trifluoromethyl-phenyl chloroformate

Show more names

AKOS0202258554-(Trifluoromethyl)phenylcarbonochloridateSY2512814-(TRIFLUOROMETHYL)PHENYL CHLOROFORMATEEN300-281220

Database identifiers

CAS: 34857-66-4
PubChem CID: 15917597
DTXSID: DTXSID50579534
EC Number: 819-098-9

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 209

Physicochemical properties

Boiling point: 202.8 · 202.8±40.0 °C(Predicted)
Density: 1.444 · 1.444±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 300 · H300+H310+H330-H314-H290
Precautionary statements: 501 · P501-P260-P270-P262-P234-P271-P264-P280-P284-P390-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P406-P405

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS06
Hazard statements: H300+H310+H330-H314-H290
Precautionary statements: P501-P260-P270-P262-P234-P271-P264-P280-P284-P390-P361+P364-P303+P361+P353-P301+P330+P331-P301+P310+P330-P304+P340+P310-P305+P351+P338+P310-P403+P233-P406-P405