3,3,3-Trifluoro-2,2-dimethylpropanoyl chloride

HCID 57417092

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Basic information

CAS: 1163707-53-6
Standard SMILES: CC(C)(C(=O)Cl)C(F)(F)F
InChIKey: FDLKHHYXFFZRSN-UHFFFAOYSA-N
Molecular formula: C5H6ClF3O
Average molar mass: 174.55 g/mol
Monoisotopic mass: 174.00592715

Names & identifiers

Preferred name: 3,3,3-Trifluoro-2,2-dimethylpropanoyl chloride
IUPAC: 3,3,3-trifluoro-2,2-dimethylpropanoyl chloride
English name: 3,3,3-trifluoro-2,2-diMethylpropanoyl chloride
Molecular formula: C5H6ClF3O
Molecular weight: 174.55

Names & synonyms

3,3,3-trifluoro-2,2-dimethylpropanoyl chloride1163707-53-6RefChem:269976MFCD221995053,3,3-Trifluoro-2,2-dimethyl-propionyl chlorideSCHEMBL571858DTXSID501250279AKOS025402834DB-2284203,3,3-trifluoro-2,2-dimethylpropanoylchloridePropanoyl chloride, 3,3,3-trifluoro-2,2-dimethyl-

Database identifiers

CAS: 1163707-53-6
PubChem CID: 57417092
DTXSID: DTXSID501250279

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 94 · 94.0±35.0 °C(Predicted)
Density: 1.283 · 1.283±0.06 g/cm3(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 302 · H302-H314-H318-H335
Precautionary statements: 202 · P202-P231+P232-P233-P260-P280-P301+P312-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P362-P403+P233
RIDADR: 3265 · UN3265
HazardClass: 8 · 8
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

ridadr: UN3265
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: 8
Hazard statements: H302-H314-H318-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P202-P231+P232-P233-P260-P280-P301+P312-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P362-P403+P233