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ISOBUTYRYLBROMIDE

ISOBUTYRYLBROMIDE structure

CAS No:
2736-37-0
Formula:
C4H7BrO
Chemical Name:
ISOBUTYRYLBROMIDE
Synonyms:
ISOBUTYRYLBROMIDE;Isobutyricacidbromide;α-methylpropionylbromide;2-methyl-propanoylbromide;2-Methylpropanoylbromide;Propanoylbromide,2-methyl-
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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ISOBUTYRYLBROMIDE Basic Attributes

Molecular Weight：

151.00200

Exact Mass：

149.96800

DSSTox ID：

DTXSID20334314

Characteristics

PSA：

17.07000

XLogP3：

1.56390

Density：

1.41 g/cm3

Boiling Point：

117ºC

Flash Point：

48ºC

Refractive Index：

1.45

Safety Information

Transport codes：

UN 2924

hazard class code：

R10

safety instructions：

S16-S26-S36-S37-S39

Precautionary statement(s)：

P210, P233, P234, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P390, P403+P235, P404, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P234, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P390, P403+P235, P404, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:151.00
XLogP3:1.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:149.96803
Monoisotopic Mass:149.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:6
Complexity:58.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes