2,4,5-トリクロロベンゼンスルホニルクロリド

2,4,5-Trichlorobenzenesulfonyl chloride

HCID 27575CAS 15945-07-0

部分構造検索類似構造を探す

基本情報

標準SMILES: O=S(=O)(Cl)c1cc(Cl)c(Cl)cc1Cl
InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N
分子式: C6H2Cl4O2S
平均分子量: 280 g/mol
単同位体質量: 277.852961

名称と識別子

優先名称: 2,4,5-Trichlorobenzenesulfonyl chloride
IUPAC: 2,4,5-trichlorobenzenesulfonyl chloride
現地名: 2,4,5-トリクロロベンゼンスルホニルクロリド
英語名: 2,4,5-TRICHLOROBENZENESULFONYL CHLORIDE
分子式: C6H2Cl4O2S
分子量: 279.96

名称と別名

15945-07-02,4,5-TRICHLOROBENZENESULFONYL CHLORIDEBenzenesulfonyl chloride, 2,4,5-trichloro-UNII-7GD5283XIX7GD5283XIXEINECS 240-079-0NSC 269582,4,5-trichlorophenylsulfonyl chlorideNSC-26958DTXSID1065974RefChem:82005DTXCID9035129

名称をさらに表示

2,4,5-トリクロロベンゼンスルホニルクロリド2,4,5-トリクロロベンゼンスルホニル=クロリド2,4,5-トリクロロベンゼンスルホニルクロリドAKOS 213-162,4,5-trichlorobenzensulfonyl chloride2,4,5-trichloro-benzenesulfonylchlorid2,4,5-THRICHLOROBENZENESULFONYL CHLORIDE1-(Chlorosulphonyl)-2,4,5-trichlorobenzene2,4,5-Trichlorobenzenesulfonyl chloride,97%

240-079-0WNVVRCKTQSCPAC-UHFFFAOYSA-N2,4,5-trichlorobenzene-1-sulfonyl chlorideMFCD000074282,4,5-Trichlorobenzenesulphonyl chlorideNSC26958SCHEMBL534192orb1741354

データベース識別子

CAS: 15945-07-0
PubChem CID: 27575
DTXSID: DTXSID1065974
UNII: 7GD5283XIX
EC Number: 240-079-0
Nikkaji: J150.762A

物性

構造計算による物性

XLogP: 3.8
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: 1
重原子数: 13
形式電荷: 0
複雑度: 273

物理化学的性質

融点: 65 · 65-69 °C
沸点: 138 °C · 138 °C(Press: 0.5 Torr)
比重(密度): 1.728 · 1.728±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: soluble in Toluene
外見: powder to crystal
色: White to Almost white
BRN: 1112595 · 1112595
InChI: 1S/C6H2Cl4O2S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H
InChIKey: WNVVRCKTQSCPAC-UHFFFAOYSA-N
SMILES: Clc1cc(Cl)c(cc1Cl)S(Cl)(=O)=O
CAS データベース: 15945 · 15945-07-0(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzenesulfonyl chloride, 2,4,5-trichloro- (15945-07-0)

化学的性質

化学的特性White or cream solid

安全と法規制

GHS分類

GHS Classification · 5 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory.；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 Corr. 1B (100%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 3261
hs_code: 29049095
risk_code: 34-14
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-36/37/39-8-45
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 InformationBenzenesulfonyl chloride, 2,4,5-trichloro-: INACTIVE

応用分野

使用2,4,5-Trichloro-benzenesulfonyl chloride is a useful building block for organic synthesis.

調製方法

2,4,5-TrichlorobenzenesulfonylChloride is obtained from trichlorobenzene by chlorosulfonation with chlorosulfuric acid at 90 ℃ and pouring the reaction mass into water.