4-Methyl-3-nitrobenzenesulfonyl chloride

HCID 560638

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 616-83-1
표준 SMILES: Cc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIKey: OQFYBGANSUNUAO-UHFFFAOYSA-N
분자식: C7H6ClNO4S
평균 분자량: 235.65 g/mol
단동위원소 질량: 234.97060635

이름 및 식별자

우선 이름: 4-Methyl-3-nitrobenzenesulfonyl chloride
IUPAC: 4-methyl-3-nitrobenzenesulfonyl chloride
영어명: 4-Methyl-3-nitrobenzene-1-sulfonyl chloride
분자식: C7H6ClNO4S
분자량: 235.64

이름 및 동의어

616-83-14-Methyl-3-nitrobenzenesulfonyl chlorideDTXSID00339988RefChem:99775DTXCID70291069626-209-24-methyl-3-nitrobenzene-1-sulfonyl chloride2-nitrotoluene-4-sulfonyl chlorideMFCD001298114-Methyl-3-nitro-benzenesulfonyl chloride3-Nitro-p-toluenesulfonyl ChlorideCK2486

이름 더 보기

BUTTPARK 95\04-09Estr-4-en-3-one,17-hydroxy-,(20β)-Phenol,3-fluoro-7-(trifluoromethyl)-3-Nitro-4-methylbenzenesulfonylchloride3-NITRO-4-METHYL PHENYLSULFONYL CHLORIDE3-Nitro-4-methylbenzenesulfonly chloride4-METHYL-3-NITROBENZENESULPHONYL CHLORIDE

STK523518UPCMLD0ENAT5258604:001BP-104904-methyl-3-nitrobenzene-1-sulfonylchlorideBenzenesulfonyl chloride, 4-methyl-3-nitro-4-METHYL-3-NITRO-1-BENZENESULFONYL CHLORIDEchloro(4-methyl-3-nitrophenyl)sulfoneFT-0619035

데이터베이스 식별자

CAS: 616-83-1
PubChem CID: 560638
DTXSID: DTXSID00339988
EC Number: 626-209-2

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 318

물리화학적 성질

녹는점: 30 · 30-34 °C (lit.)
끓는 점: 152 · 152-154°C 1mm
밀도: 1.528 · 1.528±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: White to Light yellow to Green
BRN: 2696481 · 2696481
InChI: InChI=1S/C7H6ClNO4S/c1-5-2-3-6(14(8,12)13)4-7(5)9(10)11/h2-4H,1H3
InChIKey: OQFYBGANSUNUAO-UHFFFAOYSA-N
SMILES: C1(S(Cl)(=O)=O)=CC=C(C)C([N+]([O-])=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

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.