(2-nitrophenyl)methanesulfonyl Chloride

HCID 4305447

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基本情報

CAS: 24974-75-2
標準SMILES: O=[N+]([O-])c1ccccc1CS(=O)(=O)Cl
InChIKey: FUEFNUGYRWQHTH-UHFFFAOYSA-N
分子式: C7H6ClNO4S
平均分子量: 235.65 g/mol
単同位体質量: 234.97060635

名称と識別子

優先名称: (2-nitrophenyl)methanesulfonyl Chloride
IUPAC: (2-nitrophenyl)methanesulfonyl chloride
英語名: 2-Nitro-alpha-toluenesulfonyl chloride
分子式: C7H6ClNO4S
分子量: 235.64

名称と別名

(2-nitrophenyl)methanesulfonyl Chloride24974-75-2DTXSID20401757RefChem:206243DTXCID00352612625-482-52-Nitro-alpha-toluenesulfonyl chlorideMFCD000825262-NITRO-ALPHA-TOLUENESULFONYLCHLORIDEBenzenemethanesulfonyl chloride, 2-nitro-2-Nitro-|A-toluenesulfonyl chlorideSCHEMBL270126

名称をさらに表示

2-nitro-α-toluenesulfonyl chloride2-Nitro-α-toluenesulfonyl chloride2-Nitro-alpha-toluenesulfonyl chloride 98%2-Nitro-α-toluenesulfonyl chloride, CAS 24974-75-2

SCHEMBL314249022-nitro-a-toluenesulfonyl chlorideSTR047272-nitrophenylmethanesulfonyl chloride(2-nitrophenyl)methansulfonyl chlorideAKOS009157104AKOS0159135782-nitro-alpha-toluenesulphonyl chloride

データベース識別子

CAS: 24974-75-2
PubChem CID: 4305447
DTXSID: DTXSID20401757
EC Number: 625-482-5

物性

構造計算による物性

XLogP: 2.1
極性表面積: 88.3 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 305

物理化学的性質

融点: 64 · 64-66 °C (lit.)
沸点: 367.5 · 367.5±25.0 °C(Predicted)
比重(密度): 1.57 · 1.570±0.06 g/cm3(Predicted)
InChI: 1S/C7H6ClNO4S/c8-14(12,13)5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey: FUEFNUGYRWQHTH-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccccc1CS(Cl)(=O)=O

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.

危険有害性情報

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

安全データ

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野

一般的な説明2-Nitro-α-toluenesulfonyl chloride is a sulfonyl halide. It is reported to participate in the preparation of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents.