1-Phenylcyclopentane-1-carbonyl chloride

HCID 12378905CAS 17380-62-0

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Basic information

Standard SMILES: O=C(Cl)C1(c2ccccc2)CCCC1
InChIKey: NOYKUYNVZHTPCI-UHFFFAOYSA-N
Molecular formula: C12H13ClO
Average molar mass: 208.688 g/mol
Monoisotopic mass: 208.06549272

Names & identifiers

Preferred name: 1-Phenylcyclopentane-1-carbonyl chloride
IUPAC: 1-Phenylcyclopentane-1-carbonyl chloride
English name: α-Phenylcyclopentanecarbonyl chloride
Molecular formula: C12H13ClO
Molecular weight: 208.68

Names & synonyms

α-Phenylcyclopentanecarbonyl chlorideα-Phenylcyclopentanecarbonyl chlorideCYCLOPENTANECARBONYL CHLORIDE,1-PHENYL-1-Phenylcyclopentane-1-carbonyl chloride1-Phenylcyclopentanecarboxylic acid chloride

Database identifiers

CAS: 17380-62-0
PubChem CID: 12378905
DTXSID: DTXSID20495313
EC Number: 809-187-0
Nikkaji: J21.933I

Properties

Physicochemical properties

Melting point: 105 · 105-107 °C
Boiling point: 88 · 88-90 °C(Press: 0.4 Torr)
Density: 1.175 · 1.175±0.06 g/cm3(Predicted)
form: solid
InChI: InChI=1S/C12H13ClO/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey: NOYKUYNVZHTPCI-UHFFFAOYSA-N
SMILES: C(Cl)(C1(C2=CC=CC=C2)CCCC1)=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses1-Phenyl-cyclopentanecarbonyl chloride was a useful reactant for the discovery and preparation of piperazinylquinoline derivatives as novel respiratory syncytial virus fusion inhibitors.