2-Nitrobenzenesulfonyl chloride (HCID 15540)

名称と識別子

優先名称: 2-Nitrobenzenesulfonyl chloride
IUPAC: 2-nitrobenzenesulfonyl chloride
現地名: 2-ニトロベンゼンスルホニルクロリド
英語名: 2-Nitrobenzenesulfonyl chloride
分子式: C6H4ClNO4S
分子量: 221.62

名称と別名

2-Nitrobenzenesulfonyl chloride1694-92-4o-Nitrophenylsulfonyl chlorideBenzenesulfonyl chloride, 2-nitro-2-Nitrobenzenesulphonyl chlorideBenzenesulfonyl chloride, o-nitro-P2E4YZ9H2YNSC-12991DTXSID4061888RefChem:477194DTXCID3035424216-907-1

名称をさらに表示

2-ニトロベンゼンスルホニルクロリド1-(クロロスルホニル)-2-ニトロベンゼン2-ニトロベンゼンスルホン酸クロリドo-ニトロベンゼンスルホニルクロリド6-ニトロベンゼンスルホン酸クロリド2-ニトロベンゼンスルホン酸クロライド塩化物塩化O-ニトロベンゼンスルホニル塩化 2-ニトロベンゼンスルホニル2-ニトロベンゼンスルホクロリド塩化2‐ニトロベンゼンスルホニル2-ニトロベンゼンスルホン酸クロライド塩化2-ニトロベンゼンスルホニルo-Ns-Cl2-NitrobenzenesuLo-Nitro Sulfo Chloride2-Nitro-benzenesulfonylOrtho Nitro Sulfo Chlorideo-Nitro Benzene Sulfo Chloride2-nitro-benzenesulfonylchlorid

2-nitrobenzene-1-sulfonyl chlorideo-Nitrobenzenesulfonyl chloride2-nitro-benzenesulfonyl chlorideBenzenesulfonyl chloride, nitro-MFCD000074302-nitrophenylsulfonyl chloridechloro(2-nitrophenyl)sulfone2-Nitrobenzenesulfonylchloride

データベース識別子

CAS: 1694-92-4
PubChem CID: 15540
DTXSID: DTXSID4061888
UNII: P2E4YZ9H2Y
EC Number: 216-907-1
Nikkaji: J62.947B

物性

構造計算による物性

XLogP: 1.8
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: 1
重原子数: 13
形式電荷: 0
複雑度: 291

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesCrystal structure

Physical DescriptionLight yellow crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 63 · 63-67 °C(lit.)
沸点: 350.6 · 350.6±25.0 °C(Predicted)
比重(密度): 1.606 · 1.606±0.06 g/cm3(Predicted)
貯蔵温度: 30 °C · Store below +30°C.
外見: powder to crystal
色: White to Yellow to Orange
水溶解度: トルエン、テトラヒドロフラン、ジクロロメタン、酢酸エチル、ジメチルホルムアミドに可溶。水に溶けません。
BRN: 521155 · 521155
InChI: InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H
InChIKey: WPHUUIODWRNJLO-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=CC=C1[N+]([O-])=O
CAS データベース: 1694 · 1694-92-4(CAS DataBase Reference)
EPAの化学物質情報: 2 · Benzenesulfonyl chloride, 2-nitro- (1694-92-4)

化学的性質

化学的特性Off-white tot yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (41.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationStatus: Active Update: 01-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29449

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Nitrobenzene and Benzenesulfonyl chloride.

Hazard Classes and CategoriesAcute Tox. 4 (41.1%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34
化審法: (3)-2010
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
ストレージクラス: 4.1A - Other explosive hazardous materials

化学と産業

用途と製造

General Manufacturing InformationBenzenesulfonyl chloride, 2-nitro-: ACTIVE

応用分野 · 1 件

使用2-Nitrobenzenesulfonyl chloride acts as a reagent to form 2-nitrobenzenesulfonyl derivatives of alcohols and amines. It is also involved in the selective cleavage with thiophenol without displacement of the nitro group. Further, it is used in the preparation of renin inhibitors. In addition to this, it finds application as an anticonvulsant.

調製方法

2-Nitrobenzenesulfonyl chloride is isolated as an intermediate in the production of 2-nitrobenzenesulfonic acid. When 2,2' - dinitrodiphenyl disulfide is chlorinated in an organic solvent the product is 2-nitrophenylsulfenyl chloride.