1-(2-Chlorophenyl)propan-2-one

HCID 229355

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Basic information

CAS: 6305-95-9
Standard SMILES: CC(=O)Cc1ccccc1Cl
InChIKey: LWGNDIMNCPMZOF-UHFFFAOYSA-N
Molecular formula: C9H9ClO
Average molar mass: 168.62 g/mol
Monoisotopic mass: 168.03419259

Names & identifiers

Preferred name: 1-(2-Chlorophenyl)propan-2-one
IUPAC: 1-(2-chlorophenyl)propan-2-one
English name: 1-(2-Chlorophenyl)acetone
Molecular formula: C9H9ClO
Molecular weight: 168.62

Names & synonyms

1-(2-Chlorophenyl)propan-2-oneRefChem:421915819-780-66305-95-92-chlorophenylacetone1-(2-Chlorophenyl)acetoneMFCD000451752-Propanone, 1-(2-chlorophenyl)-1-(2-Chlorophenyl)-2-propanoneNSC229862-chlorphenyl acetone(O-chlorophenyl)acetone

Show more names

2-Chlorophenylacetone,97%2-Propanone,1-(2-chlorophenyl)-(2-Chlorophenyl)acetone, 1-(2-Chlorophenyl)-2-oxopropane

Methoxyphenamine impurity 6SCHEMBL2656721-(2-Chlorophenyl)acetone #SCHEMBL17686537DTXSID70281768STR060411-(2-chloro-phenyl)-propan-2-oneNSC-22986

Database identifiers

CAS: 6305-95-9
PubChem CID: 229355
DTXSID: DTXSID70281768
EC Number: 819-780-6
Nikkaji: J515.578I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Physicochemical properties

Boiling point: 102 · 102-103°C 3mm
Density: 1.1115 · 1.1115 (rough estimate)
refractive index: 1.534 · 1.534-1.536
Flash point: 102 · 102-103°C/3mm
storage temp.: Sealed in dry,Room Temperature
Appearance: Colorless to light yellow Liquid
Water Solubility: Difficult to mix in water.
BRN: 2043542 · 2043542
CAS DataBase Reference: 6305 · 6305-95-9(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-(2-Chlorophenyl)propan-2-one(6305-95-9)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-52
Safety Statements: 24 · 24/25
HS Code: 29143990 · 29143990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.