3-Nitrobenzenesulfonyl chloride (HCID 8476)

이름 및 식별자

우선 이름: 3-Nitrobenzenesulfonyl chloride
IUPAC: 3-nitrobenzenesulfonyl chloride
영어명: 3-Nitrobenzenesulfonyl chloride
분자식: C6H4ClNO4S
분자량: 221.62

이름 및 동의어

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

이름 더 보기

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)

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 291

물리화학적 성질

녹는점: 61 · 61-62 °C(lit.)
끓는 점: 341 ℃ · approximate 341℃
밀도: 1.602 · 1.602 (estimate)
굴절률: 1.6 · 1.6000 (estimate)
인화점: 110 °C · >110°C
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 결정성 분말
색상: 연한 베이지색에서 노란색까지
수용성: 물에서 분해되다
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
NIST: M-nitrobenzene sulfonyl chloride(121-51-7)
EPA: 3 · Benzenesulfonyl chloride, 3-nitro- (121-51-7)

화학적 성질

light beige to yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 29049090
risk_code: 34-29-14
hazard_code: C
safety_code: 26-36/37/39-45-8
포장분류: II
위험 등급: 8
F 고인화성물질: 21
위험 참고 사항: Corrosive
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonyl chloride, 3-nitro-: ACTIVE

응용 분야

용도It 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.

제조 방법 · 1건

생산 방법Nitrobenzene 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.