2-니트로클로로벤젠-4-술포메틸아미드

Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-

HCID 67301CAS 137-48-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: UMNGEAKUUOJPAX-UHFFFAOYSA-N
분자식: C7H7ClN2O4S
평균 분자량: 250.66 g/mol
단동위원소 질량: 249.98150538

이름 및 식별자

우선 이름: Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
IUPAC: 4-chloro-N-methyl-3-nitrobenzenesulfonamide
현지명: 2-니트로클로로벤젠-4-술포메틸아미드
영어명: 2-Nitrochlorobenzene-4-sulfomethyl amide
분자식: C7H7ClN2O4S
분자량: 250.66

이름 및 동의어

137-48-44-chloro-n-methyl-3-nitrobenzenesulfonamideBenzenesulfonamide, 4-chloro-N-methyl-3-nitro-EINECS 205-296-7DTXSID9059672RefChem:117727DTXCID1034395UMNGEAKUUOJPAX-UHFFFAOYSA-N2-Nitrochlorobenzene-4-sulfomethyl amide4-chloro-N-methyl-3-nitrobenzene-1-sulfonamideCHEMBL504044-Chloro-N-methyl-3-nitro-benzenesulfonamide

이름 더 보기

2-니트로클로로벤젠-4-술포메틸아미드(4-Chloro-3-nitrobenzoyl)sulfaMic acid2-nitrochlorobenzene-4-sulfonylmethylamineN-Methyl-3-nitro-4-chlorobenzenesulfonamide2-Chloro-5-(N-methylsulfamoyl)-nitrobenzene

4-Chloro-N-methyl-3-nitrobenzenesulphonamideMFCD00035884SCHEMBL6868214-Chlor-5-nitro-sulfonmethylamidBDBM50101955EBC-06548AKOS001052614CS-0307742

데이터베이스 식별자

CAS: 137-48-4
PubChem CID: 67301
DTXSID: DTXSID9059672
ChEMBL: CHEMBL50404
EC Number: 205-296-7
Nikkaji: J30.822F

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 100 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 334

물리화학적 성질

녹는점: 61 · 61-63 °C
끓는 점: 392.5 · 392.5±52.0 °C(Predicted)
밀도: 1.53 · 1.530±0.06 g/cm3(Predicted)
산도 계수 (pKa): 10.08 · 10.08±0.50(Predicted)
EPA: 4 · Benzenesulfonamide, 4-chloro-N-methyl-3-nitro- (137-48-4)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P273, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2009 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.