3-Nitrobenzenesulfonyl chloride (HCID 8476)

名称と識別子

優先名称: 3-Nitrobenzenesulfonyl chloride
IUPAC: 3-nitrobenzenesulfonyl chloride
現地名: 3-ニトロベンゼンスルホニルクロリド
英語名: 3-Nitrobenzenesulfonyl chloride
分子式: C6H4ClNO4S
分子量: 221.62

名称と別名

3-Nitrobenzenesulfonyl chloride121-51-73-nitrobenzene-1-sulfonyl chlorideBenzenesulfonyl chloride, 3-nitro-3-Nitrophenylsulfonyl chloride3-Nitrobenzenesulphonyl chlorideM-NITROBENZENESULFONYL CHLORIDEm-Nitrophenylsulfonyl chlorideBenzenesulfonyl chloride, m-nitro-KN1Z8WPL9UM-NOSYL CHLORIDENSC 9806

名称をさらに表示

3-ニトロベンゼンスルホニルクロリドm-ニトロベンゼンスルホニルクロリド3-ニトロベンゼンスルホン酸クロリド3-ニトロベンゼンスルホニルクロリド塩化 3-ニトロベンゼンスルホニル3-ニトロベンゼンスルホニルクロリド, 98%3-ニトロベンゼン-1-スルホニルクロリドm-Nitrop3-NitrobenzenesuL3-NitrobenzenesulfonZidovudine impurity L5-Chloro-2H-benzotriazolem-Nitrosulphonyl chlorideNitro Benzene Sulphonamidem-Nitrobenzenesulfonylchlori-nitro-benzenesulfonylchloridm-Nitrobenzenesulfonyl chlorid

NSC-9806EINECS 204-476-2DTXSID60595263-(CHLOROSULFONYL)NITROBENZENENITROBENZENESULFONYL CHLORIDE, M-RefChem:504485DTXCID5033672Benzenesulfonyl chloride, m-nitro-(8CI)

データベース識別子

CAS: 121-51-7
PubChem CID: 8476
DTXSID: DTXSID6059526
UNII: KN1Z8WPL9U
EC Number: 204-476-2
Nikkaji: J28.764D

物性

構造計算による物性

XLogP: 1.3
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

物理化学的性質

融点: 61 · 61-62 °C(lit.)
沸点: 341 ℃ · approximate 341℃
比重(密度): 1.602 · 1.602 (estimate)
屈折率: 1.6 · 1.6000 (estimate)
闪点: 110 °C · >110°C
貯蔵温度: 30 °C · Store below +30°C.
外見: 結晶性粉末
色: ライトベージュ～イエロー
水溶解度: 分解する
BRN: 746542 · 746542
InChI: 1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKey: MWWNNNAOGWPTQY-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cccc(c1)S(Cl)(=O)=O
CAS データベース: 121 · 121-51-7(CAS DataBase Reference)
NISTの化学物質情報: M-nitrobenzene sulfonyl chloride(121-51-7)
EPAの化学物質情報: 3 · Benzenesulfonyl chloride, 3-nitro- (121-51-7)

化学的性質

化学的特性light beige to yellow crystalline powder

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 58 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

F: 21
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29049090
risk_code: 34-29-14
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45-8
hazard_class: 8
packing_group: II
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

用途と製造

General Manufacturing InformationBenzenesulfonyl chloride, 3-nitro-: ACTIVE

応用分野

使用It is employed as a biochemical for proteomics research. It is also used in the preparation of: acyl-2-aminobenzimidazole analogs and 6-chloro-2-methyl-3-{1-[(3-nitrophenyl)sulfonyl]-1H-pyrazol-3-yl}imidazo[1,2-a]pyridine.

調製方法 · 1 件

Nitrobenzene is added to excess chlorosulfonic acid, and the temperature is raised gradually to 100 ℃ and held there for 6 h. After cooling, the mixture is poured into ice and water, and 3-nitrobenzenesulfonyl chloride is filtered off in 75 % yield for use as a paste, after being washed (to remove acid) with cold water.