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(2E)-3-(3-Bromophenyl)-2-propenoic acid

(2E)-3-(3-Bromophenyl)-2-propenoic acid structure

CAS No:
14473-91-7
Formula:
C9H7BrO2
Chemical Name:
(2E)-3-(3-Bromophenyl)-2-propenoic acid
Synonyms:
2-Propenoic acid,3-(3-bromophenyl)-,(2E)-;Cinnamic acid,m-bromo-,(E)-;2-Propenoic acid,3-(3-bromophenyl)-,(E)-;(2E)-3-(3-Bromophenyl)-2-propenoic acid;trans-m-Bromocinnamic acid;BW-A 800U;(E)-3-Bromocinnamic acid;trans-3-(3-Bromophenyl)-2-propenoic acid;trans-3-(3-Bromophenyl)acrylic acid;(E)-m-Bromocinnamic acid;(E)-3-(3-Bromophenyl)acrylic acid;3-Bromo-trans-cinnamic acid;trans-3-Bromocinnamic acid
Categories:
Flavors and Fragrances > Synthetic Fragrances

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(2E)-3-(3-Bromophenyl)-2-propenoic acid Basic Attributes

Molecular Weight：

227.05

Exact Mass：

227.05

BRN：

2084230

EC Number：

251-267-7

NSC Number：

102779

DSSTox ID：

DTXSID4067729

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.24

Density：

1.6±0.1 g/cm3

Melting Point：

174 °C

Boiling Point：

344.1±25.0 °C at 760 mmHg

Flash Point：

161.9±23.2 °C

Refractive Index：

1.648

Water Solubility：

Insoluble in water.

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

GD8420000

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

3-bromocinnamic acid

(2E)-3-(3-Bromophenyl)-2-propenoic acid Use and Manufacturing

Manufacturing Info：

2-Propenoic acid, 3-(3-bromophenyl)-: INACTIVE

Computed Properties

Molecular Weight:227.05
XLogP3:2.6
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:189
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2E)-3-(3-Bromophenyl)-2-propenoic acid

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

(2E)-3-(3-Bromophenyl)-2-propenoic acid

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