Phenylmethanesulfonyl chloride (HCID 74740)

名称と識別子

優先名称: Phenylmethanesulfonyl chloride
IUPAC: phenylmethanesulfonyl chloride
現地名: ベンジルスルホニルクロリド
英語名: alpha-Toluenesulfonyl chloride
分子式: C7H7ClO2S
分子量: 190.65

名称と別名

Phenylmethanesulfonyl chloride1939-99-7alpha-Toluenesulfonyl chlorideBenzylsulfonyl chlorideBenzenemethanesulfonyl chlorideBenzylsulfochloridea-toluenesulfonyl chloride.alpha.-Toluenesulfonyl chlorideMethanesulfonyl chloride, phenyl-Phenylmethylsulfonyl chlorideMFCD00007455Phenyl-Methanesulfonyl Chloride

名称をさらに表示

ベンジルスルホニルクロリドフェニルメタンスルホニルクロリドフェニルメタンスルホン酸クロリドベンゼンメタンスルホン酸クロリドベンジルスルホニルクロリド塩化Α-トルエンスルホニル塩化ベンジルスルホニル塩化フェニルメタンスルホニルα-トルエンスルホニルクロリド塩化Α‐トルエンスルホニルベンジルスルホニル=クロリドPMS-CLNSC 41894OTAVA-BB BB7020430779BENZYL SULFONIC CHLORIDEà-benzylsulfonyl chlorideBenzylsulfonylChloride>

Toluene-alpha-sulphonyl chloridebenzylsulphonyl chloride5G7C8MSX2Palpha-toluenesulphonyl chlorideNSC-41894alpha-ToluenesulfonylchloridePhenylmethanesulphonyl chlorideBenzylsulfonyl Chloride; NSC 41894; Phenylmethanesulfonyl Chloride;

データベース識別子

CAS: 1939-99-7
PubChem CID: 74740
DTXSID: DTXSID3062071
UNII: 5G7C8MSX2P
EC Number: 217-717-1
Nikkaji: J41.427A

物性

構造計算による物性

XLogP: 1.6
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: 11
形式電荷: 0
複雑度: 199

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physical DescriptionOff-white crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点: 92 · 92-94 °C(lit.)
沸点: 120 °C · 120 °C / 10mmHg
比重(密度): 1.3264 · 1.3264 (estimate)
屈折率: 1.624 · 1.624-1.626
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: soluble in Toluene
外見: 結晶性粉末
色: ほぼ白
水溶解度: 分解する
BRN: 972806 · 972806
InChI: 1S/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: OAHKWDDSKCRNFE-UHFFFAOYSA-N
SMILES: ClS(=O)(=O)Cc1ccccc1
CAS データベース: 1939 · 1939-99-7(CAS DataBase Reference)
NISTの化学物質情報: Benzenemethanesulfonyl chloride(1939-99-7)
EPAの化学物質情報: Benzenemethanesulfonyl chloride (1939-99-7)

化学的性質

化学的特性almost white crystalline powder

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

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

Chemical: Benzenemethanesulfonyl chloride

Phenylmethanesulphonyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See p-Toluenesulfonyl chloride.

Hazard Classes and CategoriesSkin Corr. 1A (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049020
risk_code: 34
化審法: (3)-3482
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzenemethanesulfonyl chloride: ACTIVE

応用分野 · 2 件

用途有機合成原料。

一般的な説明Phenylmethanesulfonyl chloride is an aliphatic sulfonyl chloride. It reacts with triethylamine in methylene chloride or ether to yield trans-stilbene and cis diphenylethylene sulfone. Its reaction with 1,1-bis(diethylamino)ethane has been studied. Addition of phenylmethanesulfonyl chloride to 1,3-diphenyl-2-pyrrolidinopropene in the presence of water was studied.