CAS 6640-25-1 4-Chlorophenyl cyclopropyl ketone (HCID 81148)

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Basic information

CAS: 6640-25-1
Standard SMILES: O=C(c1ccc(Cl)cc1)C1CC1
InChIKey: OPSFCTBBDIDFJM-UHFFFAOYSA-N
Molecular formula: C10H9ClO
Average molar mass: 180.63 g/mol
Monoisotopic mass: 180.03419259

Names & identifiers

Preferred name: 4-Chlorophenyl cyclopropyl ketone
IUPAC: (4-chlorophenyl)-cyclopropylmethanone
English name: 4-Chlorophenyl cyclopropyl ketone
Molecular formula: C10H9ClO
Molecular weight: 180.63

Names & synonyms

4-Chlorophenyl cyclopropyl ketoneEINECS 229-655-2DTXSID40216623NSC 49315RefChem:522027DTXCID70139114229-655-26640-25-1(4-Chlorophenyl)(cyclopropyl)methanone4-ChlorobenzoylcyclopropaneMFCD00001295(4-chlorophenyl)-cyclopropylmethanone

Show more names

4-Chlorophenylc4-Chlorophenyl cyclo4-Chlorophenyl cyclopropyl keoneCYCLOPROPYL-4-CHLOROPHENYL KETONE4-Chlorophenylcyclopropylketone,98%2-Chloropyrid-5-ylcyclopropylketone(4-chlorophenyl)cycloproylmethanone

Methanone, (4-chlorophenyl)cyclopropyl-(4-Chlorophenyl)cyclopropylmethanonep-Chlorophenyl cyclopropyl ketoneNSC-49315(4-Chlorobenzoyl)cyclopropaneNSC49315(4-chlorophenyl)-cyclopropyl-methanone4-CHLOROPHENYLCYCLOPROPYLMETHANONE

Database identifiers

CAS: 6640-25-1
PubChem CID: 81148
DTXSID: DTXSID40216623
ChEMBL: CHEMBL2251575
UNII: 2GKN75SXH7
EC Number: 229-655-2
Nikkaji: J298.033I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 29 · 29-31 °C(lit.)
Boiling point: 135 · 135-137°C 10mm
Density: 1.16 · 1.16
refractive index: 20 · n20/D 1.5718(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: powder to lump to clear liquid
color: White or Colorless to Yellow to Orange
BRN: 2044845 · 2044845
InChI: InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChIKey: OPSFCTBBDIDFJM-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)(C1CC1)=O
CAS DataBase Reference: 6640 · 6640-25-1(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Chlorophenyl cyclopropyl ketone(6640-25-1)
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 2914790090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-36-26
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses4-Chlorophenylcyclopropyl ketone is an intermediate for the insecticide flucyclourea and is also used to synthesize cyclopropyl-4-chlorobenzophenone oxime-o-(3-phenoxybenzyl) ether, a novel pyrethroid pesticide with high biological activity.