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4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone

4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone structure

CAS No:
70289-38-2
Formula:
C13H17ClO
Chemical Name:
4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone
Synonyms:
1-Butanone,4-chloro-1-[4-(1-methylethyl)phenyl]-;Butyrophenone,4-chloro-4′-isopropyl-;4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone;3-Chloropropyl 4-isopropylphenyl ketone;4-Chloro-1-(4-isopropylphenyl)-1-butanone;NSC 163136

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4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone Basic Attributes

Molecular Weight：

224.72600

Exact Mass：

224.73

EC Number：

274-544-4

UNII：

SZY13PY3ZI

NSC Number：

163136

DSSTox ID：

DTXSID40220543

Characteristics

PSA：

17.07000

XLogP3：

4.01170

Density：

1.043g/cm3

Boiling Point：

337.9ºC at 760 mmHg

Flash Point：

194.2ºC

Refractive Index：

1.511

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.72
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:224.0967929
Monoisotopic Mass:224.0967929
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:193
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone

SDS

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