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4-Bromocinnamic acid

4-Bromocinnamic acid structure

CAS No:
1200-07-3
Formula:
C9H7BrO2
Chemical Name:
4-Bromocinnamic acid
Synonyms:
2-Propenoic acid,3-(4-bromophenyl)-;Cinnamic acid,p-bromo-;3-(4-Bromophenyl)-2-propenoic acid;p-Bromocinnamic acid;4-Bromocinnamic acid;NSC 218449;3-(4-Bromophenyl)acrylic acid
Categories:
Specialty Chemicals

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4-Bromocinnamic acid Basic Attributes

Molecular Weight：

227.06

Exact Mass：

227.05

EC Number：

214-850-7

NSC Number：

218449

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.5

Appearance：

colorless or white crystalline solid

Density：

1.6±0.1 g/cm3

Melting Point：

257 °C

Boiling Point：

344.9ºC at 760 mmHg

Flash Point：

162.4±20.9 °C

Refractive Index：

1.648

Vapor Pressure：

2.43E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

R22;R36/37/38

safety instructions：

S36/37/39-S26-S22

RTECS Number：

UD3110000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:227.05
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:225.96294
Monoisotopic Mass:225.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:181
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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