Benzenesulfonyl chloride, 2,4-dinitro-

HCID 74255CAS 1656-44-6

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1
InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N
분자식: C6H3ClN2O6S
평균 분자량: 266.62 g/mol
단동위원소 질량: 265.9400345

이름 및 식별자

우선 이름: Benzenesulfonyl chloride, 2,4-dinitro-
IUPAC: 2,4-dinitrobenzenesulfonyl chloride
영어명: 2,4-DINITROBENZENESULFONYL CHLORIDE
분자식: C6H3ClN2O6S
분자량: 266.62

이름 및 동의어

2,4-Dinitrobenzenesulfonyl chloride1656-44-6Benzenesulfonyl chloride, 2,4-dinitro-EINECS 216-749-3DTXSID20618542,4-Dinitrobenzene sulfochlorideSSFSNKZUKDBPIT-UHFFFAOYSA-RefChem:118098DTXCID0035320InChI=1/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3HSSFSNKZUKDBPIT-UHFFFAOYSA-N2,4-Dinitrobenzene-1-sulfonyl chloride

이름 더 보기

2,4-DinitrobenzenesuL2,4-Dinitrobenzenesulfonylchl4-Dinitrobenzenesulfonyl chloride2,4-dinitro-benzenesulfonylchlorid1-(Chlorosulphonyl)-2,4-dinitrobenzene2,4-Dinitrobenzenesulfonyl chloride,98%

2,4-Dinitrobenzenesulphonyl chlorideC6H3ClN2O6SMFCD000074312,4-dinitrophenylsulfonyl chlorideBenzenesulfonylchloride, 2,4-dinitro-SCHEMBL17259SCHEMBL29430338(2,4-dinitrophenyl)chlorosulfone

데이터베이스 식별자

CAS: 1656-44-6
PubChem CID: 74255
DTXSID: DTXSID2061854
EC Number: 216-749-3
Nikkaji: J3.373A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 134 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 393

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 101 · 101-103 °C (lit.)
끓는 점: 60 · 60-80 °C
밀도: 1.78 · 1.780
저장 조건: -20 °C · -20°C Freezer
용해도: 클로로포름(약간 용해됨)
물리적 상태: 고체
색상: 밝은 노란색 결정
수용성: 물과 반응합니다.
BRN: 2147583 · 2147583
안정성: 흡습성
InChI: 1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)S(Cl)(=O)=O
EPA: 2 · Benzenesulfonyl chloride, 2,4-dinitro- (1656-44-6)

화학적 성질

yellow crystalline powder

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.

유해성 정보

Regulatory InformationBenzenesulfonyl chloride, 2,4-dinitro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
HS 번호: 2904990090
risk_code: 34-65-48/23/24/25-46-45-48/20/21/22
hazard_code: T,C
safety_code: 53-26-36/37/39-45-62
포장분류: II
위험 등급: 8
F 고인화성물질: 21
Hazard Classifications: Carc. 1AEye Dam. 1Muta. 1BSkin Corr. 1BSTOT RE 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonyl chloride, 2,4-dinitro-: ACTIVE

응용 분야

용도2,4-Dinitrobenzenesulfonyl chloride was used to protect primary amines. It was used as starting reagent in the synthesis of tert-butyl 2-[(2,4-dinitrophenyl) sulfonyl]amino acetate.

일반 설명2,4-Dinitrobenzenesulfonyl chloride causes the sulfonation of glycosylamines to yield N-glycosyl-2,4-dinitrobenzenesulfonamides.