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2-Propenal, 2-bromo-

2-Propenal, 2-bromo- structure

CAS No:
14925-39-4
Formula:
C3H3BrO
Chemical Name:
2-Propenal, 2-bromo-
Synonyms:
2-Propenal,2-bromo-;Acrolein,2-bromo-;α-Bromoacrolein;2-Bromopropenal;2-Bromoacrolein;2-Bromoacrylaldehyde;2-Bromoprop-2-enal
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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2-Propenal, 2-bromo- Basic Attributes

Molecular Weight：

134.95932

Exact Mass：

134.96

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

1.09390

Density：

1.3014 (rough estimate)

Boiling Point：

58 °C @ Press: 21 Torr

Flash Point：

97°C

Refractive Index：

1.4562 (estimate)

Storage Conditions：

-20°C

Vapor Pressure：

4.08mmHg at 25°C

Flammability characteristics：

Thermal decomposition to emit toxic bromide fumes

Safety Information

Transport codes：

UN32863/PG2

wgk germany：

hazard class code：

23/24/25-34-50

safety instructions：

26-36/37/39-45-61

RTECS Number：

AS1110000

Marks：

T,N

Storage features：

Warehouse ventilated, low temperature and dry

Precautionary statement(s)：

P280-P301 + P310 + P330-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P403 + P233

Hazard Statements：

H300-H311 + H331-H314-H400

GHS Classification：

|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-bromoacrolein

Computed Properties

Molecular Weight:134.96
XLogP3:1.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:133.93673
Monoisotopic Mass:133.93673
Topological Polar Surface Area:17.1
Heavy Atom Count:5
Complexity:57.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes