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4-Chloro-2-butanone

4-Chloro-2-butanone structure

CAS No:
6322-49-2
Formula:
C4H7ClO
Chemical Name:
4-Chloro-2-butanone
Synonyms:
2-Butanone,4-chloro-;4-Chloro-2-butanone;1-Chloro-3-butanone;2-Chloroethyl methyl ketone;β-Chloroethyl methyl ketone;NSC 32104;4-Chlorobutan-2-one
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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4-Chloro-2-butanone Basic Attributes

Molecular Weight：

106.55

Exact Mass：

106.55

EC Number：

228-680-6

NSC Number：

32104

DSSTox ID：

DTXSID00212585

Characteristics

PSA：

17.1

XLogP3：

0.5

Density：

1.068 g/cm³ @ Temp: 23 °C

Boiling Point：

53 °C @ Press: 16 Torr

Flash Point：

45.5ºC

Refractive Index：

1.408

Safety Information

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

4-Chloro-2-butanone Use and Manufacturing

4-Hydroxy-2-butanone (0.881 g; 10 mmol), 2 ml of DCM, and thionyl chloride (1.46 ml; 20 mmol) were charged in a reaction flask and stirred at rt overnight. The mixture was evaporated and dried by nitrogen flow to yield 1.06 g of 2-chlorobutan-2-one.

Computed Properties

Molecular Weight:106.55
XLogP3:0.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:106.0185425
Monoisotopic Mass:106.0185425
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:51.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Paraformaldehyde

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4-Chloro-2-butanone

CAS No.: 6322-49-2

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4-CHLORO-2-BUTANONE

CAS No.: 6322-49-2

Grade: Industrial Grade

Content: 99%

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