4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone
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![4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d2def845fbaa4735b77235ec5031e119.png "4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone")
4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone
structure -
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CAS No:
43076-61-5
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Formula:
C14H19ClO
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Chemical Name:
4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone
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Synonyms:
1-Butanone,4-chloro-1-[4-(1,1-dimethylethyl)phenyl]-;Butyrophenone,4′-tert-butyl-4-chloro-;4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone;4′-tert-Butyl-4-chlorobutyrophenone;p-tert-Butyl-ω-chlorobutyrophenone;4-Chloro-4′-tert-butylbutyrophenone;1-(4-tert-Butylphenyl)-4-chloro-1-butanone
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CAS No:
4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone Basic Attributes
238.75300
238.75
256-077-8
DTXSID1057745
2914700090
Characteristics
17.07000
4.18580
white crystal power
1.028 g/ml
47 °C
152ºC (1 mmHg)
207.6ºC
1.504
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
UN 3077
2
R22
S24/25-S7/8
Xn
Stable under normal temperatures and pressures.
|Danger|H302 (96.81%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 94 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:238.75
XLogP3:4.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:238.1124429
Monoisotopic Mass:238.1124429
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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