2,4-ジニトロベンゼンスルホン酸クロリド

Benzenesulfonyl chloride, 2,4-dinitro-

HCID 74255CAS 1656-44-6

部分構造検索類似構造を探す

基本情報

標準SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N
分子式: C6H3ClN2O6S
平均分子量: 266.62 g/mol
単同位体質量: 265.9400345

名称と識別子

優先名称: Benzenesulfonyl chloride, 2,4-dinitro-
IUPAC: 2,4-dinitrobenzenesulfonyl chloride
現地名: 2,4-ジニトロベンゼンスルホン酸クロリド
英語名: 2,4-DINITROBENZENESULFONYL CHLORIDE
分子式: C6H3ClN2O6S
分子量: 266.62

名称と別名

2,4-Dinitrobenzenesulfonyl chloride1656-44-6Benzenesulfonyl chloride, 2,4-dinitro-EINECS 216-749-3DTXSID20618542,4-Dinitrobenzene sulfochlorideSSFSNKZUKDBPIT-UHFFFAOYSA-RefChem:118098DTXCID0035320InChI=1/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3HSSFSNKZUKDBPIT-UHFFFAOYSA-N2,4-Dinitrobenzene-1-sulfonyl chloride

名称をさらに表示

2,4-ジニトロベンゼンスルホン酸クロリド2,4-ジニトロベンゼンスルホニルクロリド2,4-ジニトロベンゼン-1-スルホニルクロリド2,4-DinitrobenzenesuL2,4-Dinitrobenzenesulfonylchl4-Dinitrobenzenesulfonyl chloride2,4-dinitro-benzenesulfonylchlorid1-(Chlorosulphonyl)-2,4-dinitrobenzene2,4-Dinitrobenzenesulfonyl chloride,98%

2,4-Dinitrobenzenesulphonyl chlorideC6H3ClN2O6SMFCD000074312,4-dinitrophenylsulfonyl chlorideBenzenesulfonylchloride, 2,4-dinitro-SCHEMBL17259SCHEMBL29430338(2,4-dinitrophenyl)chlorosulfone

データベース識別子

CAS: 1656-44-6
PubChem CID: 74255
DTXSID: DTXSID2061854
EC Number: 216-749-3
Nikkaji: J3.373A

物性

構造計算による物性

XLogP: 1.7
極性表面積: 134 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 393

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

物理化学的性質

融点: 101 · 101-103 °C (lit.)
沸点: 60 · 60-80 °C
比重(密度): 1.78 · 1.780
貯蔵温度: -20 °C · -20°C Freezer
溶解性: Chloroform (Slightly)
外見: 個体
色: 薄黄色の結晶
水溶解度: 水と反応する。
BRN: 2147583 · 2147583
安定性: 吸湿性
InChI: 1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(Cl)(=O)=O
CAS データベース: 1656 · 1656-44-6(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzenesulfonyl chloride, 2,4-dinitro- (1656-44-6)

化学的性質

化学的特性yellow 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory InformationBenzenesulfonyl chloride, 2,4-dinitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

安全データ

F: 21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 2904990090
risk_code: 34-65-48/23/24/25-46-45-48/20/21/22
hazard_code: T,C
safety_code: 53-26-36/37/39-45-62
hazard_class: 8
packing_group: II
Hazard Classifications: Carc. 1AEye Dam. 1Muta. 1BSkin Corr. 1BSTOT RE 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonyl chloride, 2,4-dinitro-: ACTIVE

応用分野

使用2,4-Dinitrobenzenesulfonyl chloride was used to protect primary amines. It was used as starting reagent in the synthesis of tert-butyl 2-[(2,4-dinitrophenyl) sulfonyl]amino acetate.

一般的な説明2,4-Dinitrobenzenesulfonyl chloride causes the sulfonation of glycosylamines to yield N-glycosyl-2,4-dinitrobenzenesulfonamides.