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

基本情報

CAS: 28447-20-3
標準SMILES: C=Cc1cccc(C(=O)O)c1
InChIKey: VWXZFDWVWMQRQR-UHFFFAOYSA-N
分子式: C9H8O2
平均分子量: 148.16 g/mol
単同位体質量: 148.05242949

名称と識別子

優先名称: 3-Vinylbenzoic Acid
IUPAC: 3-ethenylbenzoic acid
現地名: 3-ビニル安息香酸
英語名: 3-Vinylbenzoic acid
分子式: C9H8O2
分子量: 148.16

名称と別名

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

名称をさらに表示

3-ビニル安息香酸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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 163

物理化学的性質

融点: 91 · 91-95 °C (lit.)
沸点: 298.7 · 298.7±19.0 °C(Predicted)
比重(密度): 1.158 · 1.158±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder
酸解離定数(Pka): 4.14 · 4.14±0.10(Predicted)
色: White

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: 3
hs_code: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

化学と産業

応用分野 · 1 件

使用Polymers 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