CAS 55186-75-9 1-Isopropenyl-4-(trifluoromethyl)benzene (HCID 521586)

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Basic information

CAS: 55186-75-9
Standard SMILES: C=C(C)c1ccc(C(F)(F)F)cc1
InChIKey: JQIVSZSXUMTYJJ-UHFFFAOYSA-N
Molecular formula: C10H9F3
Average molar mass: 186.17 g/mol
Monoisotopic mass: 186.06563495

Names & identifiers

Preferred name: 1-Isopropenyl-4-(trifluoromethyl)benzene
IUPAC: 1-prop-1-en-2-yl-4-(trifluoromethyl)benzene
English name: 4-(Trifluoromethyl)styrene
Molecular formula: C10H9F3
Molecular weight: 186.17

Names & synonyms

55186-75-91-isopropenyl-4-(trifluoromethyl)benzene1-Isopropenyl-4-trifluoromethyl-benzene1-(prop-1-en-2-yl)-4-(trifluoromethyl)benzene1-prop-1-en-2-yl-4-(trifluoromethyl)benzeneC10H9F3Benzene, 1-(1-methylethenyl)-4-(trifluoromethyl)-MFCD084574704-(1-methylvinyl)-1-(trifluoromethyl)benzene4-CF3C6H4C(CH3)CH24-(Trifluoromethyl)-a-methylstyreneSCHEMBL1474670

Show more names

1-(1-Methylethenyl)-4-(trifluoromethyl)benzene

DTXSID60334691XXGKYMVEOOWZTA-UHFFFAOYSA-Np-(Trifluoromethyl)-a-methylstyreneSBB055080AKOS006346050AT47052(4-trifluoromethyl)-alpha-methylstyreneST50949865

Database identifiers

CAS: 55186-75-9
PubChem CID: 521586
DTXSID: DTXSID60334691
Nikkaji: J875.179J

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 185

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 65 · 65-66 °C40 mm Hg(lit.)
Density: 1.165 g/mL · 1.165 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.466(lit.)
Flash point: 108 °F · 108 °F
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36/37

Safety & regulation

Safety data

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313