(2-nitrophenyl)methanesulfonyl Chloride

HCID 4305447CAS 24974-75-2

기본 정보

표준 SMILES: O=[N+]([O-])c1ccccc1CS(=O)(=O)Cl
InChIKey: FUEFNUGYRWQHTH-UHFFFAOYSA-N
분자식: C7H6ClNO4S
평균 분자량: 235.65 g/mol
단동위원소 질량: 234.97060635

이름 및 식별자

우선 이름: (2-nitrophenyl)methanesulfonyl Chloride
IUPAC: (2-nitrophenyl)methanesulfonyl chloride
영어명: 2-Nitro-alpha-toluenesulfonyl chloride
분자식: C7H6ClNO4S
분자량: 235.64

이름 및 동의어

(2-nitrophenyl)methanesulfonyl Chloride24974-75-2DTXSID20401757RefChem:206243DTXCID00352612625-482-52-Nitro-alpha-toluenesulfonyl chlorideMFCD000825262-NITRO-ALPHA-TOLUENESULFONYLCHLORIDEBenzenemethanesulfonyl chloride, 2-nitro-2-Nitro-|A-toluenesulfonyl chlorideSCHEMBL270126

이름 더 보기

2-nitro-α-toluenesulfonyl chloride2-Nitro-α-toluenesulfonyl chloride2-Nitro-alpha-toluenesulfonyl chloride 98%2-Nitro-α-toluenesulfonyl chloride, CAS 24974-75-2

SCHEMBL314249022-nitro-a-toluenesulfonyl chlorideSTR047272-nitrophenylmethanesulfonyl chloride(2-nitrophenyl)methansulfonyl chlorideAKOS009157104AKOS0159135782-nitro-alpha-toluenesulphonyl chloride

데이터베이스 식별자

CAS: 24974-75-2
PubChem CID: 4305447
DTXSID: DTXSID20401757
EC Number: 625-482-5

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 88.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 305

물리화학적 성질

녹는점: 64 · 64-66 °C (lit.)
끓는 점: 367.5 · 367.5±25.0 °C(Predicted)
밀도: 1.57 · 1.570±0.06 g/cm3(Predicted)
InChI: 1S/C7H6ClNO4S/c8-14(12,13)5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey: FUEFNUGYRWQHTH-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccccc1CS(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

일반 설명2-Nitro-α-toluenesulfonyl chloride is a sulfonyl halide. It is reported to participate in the preparation of novel pyridinioalkanoyl thiolesters (PATE) as anti-HIV-1 agents.