[(E)-cinnamyl]-triphenyl-phosphonium chloride

HCID 73729

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Basic information

CAS: 1530-35-4
Standard SMILES: C(=Cc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIKey: NBGQQOBCTPJEFE-UHFFFAOYSA-M
Molecular formula: C27H24ClP
Average molar mass: 414.9 g/mol
Monoisotopic mass: 414.13041508

Names & identifiers

Preferred name: [(E)-cinnamyl]-triphenyl-phosphonium chloride
IUPAC: triphenyl(3-phenylprop-2-enyl)phosphanium chloride
English name: Cinnamyltriphenylphosphonium chloride
Molecular formula: C27H24P.Cl
Molecular weight: 414.91

Names & synonyms

[(E)-cinnamyl]-triphenyl-phosphonium chlorideSCHEMBL2452749NBGQQOBCTPJEFE-UHFFFAOYSA-MAKOS030239822Triphenyl(3-phenylprop-2-en-1-yl)phosphanium chlorideCinnamyltriphenylphosphonium chlorideCinnamyltriphenylphosphonium chloride, 98 %triphenyl(3-phenyl-2-propenyl)-phosphoniuchloride(3-Phenyl-2-propenyl)triphenylphosphonium chloridetriphenyl-[(E)-3-phenylprop-2-enyl]phosphanium,chloride

Database identifiers

CAS: 1530-35-4
PubChem CID: 73729
DTXSID: DTXSID50883688

Properties

Computed structural properties

Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 29
Formal charge: 0
Complexity: 411

Physicochemical properties

Melting point: 225 · 225-227 °C (dec.)(lit.)
EPA Substance Registry System: Phosphonium, triphenyl(3-phenyl-2-propenyl)-, chloride (1530-35-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P