CAS 28447-20-3 3-Vinylbenzoic Acid (HCID 4438231)

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Basic information

CAS: 28447-20-3
Standard SMILES: C=Cc1cccc(C(=O)O)c1
InChIKey: VWXZFDWVWMQRQR-UHFFFAOYSA-N
Molecular formula: C9H8O2
Average molar mass: 148.16 g/mol
Monoisotopic mass: 148.05242949

Names & identifiers

Preferred name: 3-Vinylbenzoic Acid
IUPAC: 3-ethenylbenzoic acid
English name: 3-Vinylbenzoic acid
Molecular formula: C9H8O2
Molecular weight: 148.16

Names & synonyms

3-Vinylbenzoic acid28447-20-33-ethenylbenzoic AcidDTXSID10403301RefChem:505503DTXCID40354155627-463-73-Ethenyl-benzoic acidMFCD00157038Benzoic acid, 3-ethenyl-3-VINYLBENZOICACID3-ethenylbenzoicaci

Show more names

RARECHEM AL BO 09133-ethyleneylbenzenemacetic acid

Benzoic acid, 3-ethenyl- (9CI)3-vinyl benzoic acid3-Vinylbenzoicacid,96%3-Vinylbenzoic acid 96%3-Vinylbenzoic acid, 96%SCHEMBL15036SCHEMBL2164103SCHEMBL9023427

Database identifiers

CAS: 28447-20-3
PubChem CID: 4438231
DTXSID: DTXSID10403301
EC Number: 627-463-7
Nikkaji: J473.774A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 163

Physicochemical properties

Melting point: 91 · 91-95 °C (lit.)
Boiling point: 298.7 · 298.7±19.0 °C(Predicted)
Density: 1.158 · 1.158±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder
pka: 4.14 · 4.14±0.10(Predicted)
color: White
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

wgk: 3
hs_code: 2916399090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesPolymers were created by the imprinting of tri-O-acetyladenosine in acrylic polymer matrix with the use of methacrylic acid (MAA) or 3-vinylbenzoic acid (VBA) as a functional monomer and ethylene glycol dimethacrylate as a cross-linking agent. Nine active ester monomers based on 4-vinylbenzoic acid have been synthesized. Under free radical polymerization conditions these monomers could successfully be polymerized yielding reactive polymers