(E)-2-phenylethene-1-sulfonyl chloride

HCID 5369377

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基本情報

CAS: 4091-26-3
標準SMILES: O=S(=O)(Cl)/C=C/c1ccccc1
InChIKey: ONWRSBMOCIQLRK-VOTSOKGWSA-N
分子式: C8H7ClO2S
平均分子量: 202.66 g/mol

名称と識別子

優先名称: (E)-2-phenylethene-1-sulfonyl chloride
IUPAC: (E)-2-phenylethenesulfonyl chloride
英語名: beta-Styrene sulfonyl chloride
分子式: C8H7ClO2S
分子量: 202.66

名称と別名

52147-97-4(E)-2-phenylethene-1-sulfonyl chlorideRefChem:406288628-891-7(E)-2-Phenylethenesulfonyl chloride4091-26-32-Phenylethenesulfonyl chloridebeta-styrene sulfonyl chloridetrans-beta-Styrenesulfonyl chlorideMFCD00007456(E)-2-phenyl-ethenesulfonyl chloride2-phenylethene-1-sulfonyl chloride

名称をさらに表示

(E)-Styrylsulfonyl chlorideβ-STYRENE SULFONYL CHLORIDETRNS- -STYRENESULFONYHL CHLORIDEtrans-β-styrenesulfonyl chloride2-Phenylethylenesulfonyl chlorideBETA-VINYLBENZENESULFONYL CHLORIDE(E)-2-Phenylethenesulphonyl chloride

Ethenesulfonyl chloride, 2-phenyl-F1967-0518Styrylsulfonyl chlorideStyrene-beta-sulphonyl chloride|A-STYRENE SULFONYL CHLORIDEEINECS 223-833-3({E})-2-phenylethylenesulfonyl chlorideEthenesulfonyl chloride, 2-phenyl-, (1E)-

データベース識別子

CAS: 4091-26-3、52147-97-4
PubChem CID: 5369377
EC Number: 223-833-3、628-891-7
Nikkaji: J1.505.967B、J124.144C

物性

構造計算による物性

XLogP: 2.4
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 245

物理化学的性質

融点: 85 · 85-88 °C (lit.)
沸点: 322.3 · 322.3±25.0 °C(Predicted)
比重(密度): 1.385 · 1.385±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey: ONWRSBMOCIQLRK-VOTSOKGWSA-N
SMILES: [H]\C(=C(\[H])S(Cl)(=O)=O)c1ccccc1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.