2-Methoxy-4-nitrobenzenesulfonyl chloride

HCID 309458CAS 21320-91-2

기본 정보

표준 SMILES: COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl
InChIKey: QECYXMKYZQXEHM-UHFFFAOYSA-N
분자식: C7H6ClNO5S
평균 분자량: 251.64 g/mol
단동위원소 질량: 250.9655212

이름 및 식별자

우선 이름: 2-Methoxy-4-nitrobenzenesulfonyl chloride
IUPAC: 2-methoxy-4-nitrobenzenesulfonyl chloride
영어명: 2-Methoxy-4-nitrobenzenesulfonyl chloride
분자식: C7H6ClNO5S
분자량: 251.64

이름 및 동의어

2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-22-Methoxy-4-nitrobenzene-1-sulfonyl chlorideDTXSID10309319RefChem:474405DTXCID00260445627-635-1MFCD03094697Benzenesulfonyl chloride, 2-methoxy-4-nitro-2-methoxy-4-nitrobenzenesulphonyl chlorideAKOS005206969NSC 211731

이름 더 보기

2-Methoxy-4-nitroben2-Methoxy-4-nitrobenzensul2-Methoxy-4-nitrobenzenesulfonylChloride>2-methoxy-4-nitrobenzene-1-sulfonyl chloride2-Methoxy-4-nitrobenzenesulfonyl chloride 96%2-Methoxy-4-nitrobenzenesulfonyl chloride,92%

2-methoxy-4 nitrobenzenesulfonyl chloride2-methoxy-4-nitro-benzenesulfonyl chlorideCS-00201122-methoxy-4-nitrobenzenesulfonylchlorideNSC2117312-Methoxy-4-nitrobenzensulfonyl chloride2-Methoxy-4-nitrobenzene-1-sulfonylchlorideSCHEMBL282513

데이터베이스 식별자

CAS: 21320-91-2
PubChem CID: 309458
DTXSID: DTXSID10309319
EC Number: 627-635-1

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 97.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 332

물리화학적 성질

녹는점: 90 · 90-95 °C (lit.)
끓는 점: 406.6 · 406.6±35.0 °C(Predicted)
밀도: 1.553 · 1.553±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 톨루엔에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
BRN: 2136023 · 2136023
InChI: 1S/C7H6ClNO5S/c1-14-6-4-5(9(10)11)2-3-7(6)15(8,12)13/h2-4H,1H3
InChIKey: QECYXMKYZQXEHM-UHFFFAOYSA-N
SMILES: COc1cc(ccc1S(Cl)(=O)=O)[N+]([O-])=O

화학적 성질

Yellow to brown 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 48 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. 1C (100%)

안전 데이터

wgk: 3
ridadr: UN 1759 8/PG 2
HS 번호: 29049090
risk_code: 34-29-14
hazard_code: C,Xi
safety_code: 26-36/37/39-45-8
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Moisture Sensitive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

일반 설명2-Methoxy-4-nitrobenzenesulfonyl chloride [4-(chlorosulphonyl)-3-methoxynitrobenzene] may be used to synthesize 2-methoxy-4-nitro-N-o-tolyl-benzenesulfonamide.