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4-Vinylbenzoic acid

4-Vinylbenzoic acid structure

CAS No:
1075-49-6
Formula:
C9H8O2
Chemical Name:
4-Vinylbenzoic acid
Synonyms:
Benzoic acid,4-ethenyl-;Benzoic acid,p-vinyl-;4-Ethenylbenzoic acid;p-Vinylbenzoic acid;4-Carboxystyrene;p-Carboxystyrene;4-Vinylbenzoic acid;NSC 176003
Categories:
Pharmaceutical Intermediates > Oled Material Intermediate

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4-Vinylbenzoic acid Basic Attributes

Molecular Weight：

148.16

Exact Mass：

148.16

EC Number：

214-053-4

UNII：

TBU4QT9N3K

NSC Number：

176003

DSSTox ID：

DTXSID70148069

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.7

Appearance：

ALMOST WHITE TO BEIGE POWDER

Density：

1.2±0.1 g/cm3

Melting Point：

143-144 °C

Boiling Point：

291.3ºC at 760 mmHg

Flash Point：

132.8±16.2 °C

Refractive Index：

1.606

Storage Conditions：

2-8ºC

Vapor Pressure：

0.000901mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Store in a Cool Dry Area.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 51 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-vinylbenzoic acid

Computed Properties

Molecular Weight:148.16
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:148.052429494
Monoisotopic Mass:148.052429494
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:155
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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