エテンスルホン酸フェニル

Phenyl ethenesulfonate

HCID 564920

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1562-34-1
標準SMILES: C=CS(=O)(=O)Oc1ccccc1
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
分子式: C8H8O3S
平均分子量: 184.21 g/mol
単同位体質量: 184.01941529

名称と識別子

優先名称: Phenyl ethenesulfonate
IUPAC: phenyl ethenesulfonate
現地名: エテンスルホン酸フェニル
英語名: Phenyl vinylsulfonate
分子式: C8H8O3S
分子量: 184.21

名称と別名

phenyl ethenesulfonatePhenyl vinylsulfonatephenyl ethene-1-sulfonateEthenesulfonic acid, phenyl esterHN14RW9PVPUNII-HN14RW9PVPDTXSID10340464RefChem:172957DTXCID30291545625-763-2CILDJVVXNMDAGY-UHFFFAOYSA-N1562-34-1

名称をさらに表示

エテン-1-スルホン酸フェニルエテンスルホン酸フェニルビニルスルホン酸フェニルフェニルエテン-1-スルホナートPhenyl vinylsulfonate 95%VINYLSULFONIC ACID PHENYL ESTEREthene-1-sulfonic acid phenyl esterPhenyl ethylenesulfonate, Vinylsulfonic acid phenyl ester

Phenyl ethylenesulfonateEthenesulfonic acid phenyl esterMFCD00012206Phenyl vinylsulfonate, 95%BAA56234CS-W004160DB08433s10559

データベース識別子

CAS: 1562-34-1
PubChem CID: 564920
DTXSID: DTXSID10340464
UNII: HN14RW9PVP
EC Number: 625-763-2
Nikkaji: J265.460A

物性

構造計算による物性

XLogP: 1.7
極性表面積: 51.8 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 232

物理化学的性質

融点: 38 · 38-42 °C(lit.)
沸点: 44 · 44-46 °C2 mm Hg(lit.)
比重(密度): 1.3761 · 1.3761 (rough estimate)
屈折率: 1.5151 · 1.5151 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
溶解性: クロロホルム（微量）、DMSO（微量）
外見: 個体
色: 白からオフホワイトへ
BRN: 2044718 · 2044718
安定性: 光に敏感
InChI: 1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey: CILDJVVXNMDAGY-UHFFFAOYSA-N
SMILES: C=CS(=O)(=O)Oc1ccccc1

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 (100%): 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 40 reports by companies from 3 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 (100%)

安全データ

F: 8
wgk: 3
ridadr: 1759
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

一般的な説明Phenyl vinylsulfonate is an ester. Palladium complex derived from a tetraphosphine-catalyzed Heck vinylation of phenyl vinylsulfonate was reported. Phenyl vinyl sulfonate reacts with various alkyl furan derivatives to yield the corresponding cycloadducts.