Pyridine-3-sulfonyl chloride (HCID 3164136)

이름 및 식별자

우선 이름: Pyridine-3-sulfonyl chloride
IUPAC: pyridine-3-sulfonyl chloride
영어명: pyridine-3-sulfonyl chloride
분자식: C5H4ClNO2S
분자량: 177.61

이름 및 동의어

Pyridine-3-sulfonyl chloride16133-25-83-Pyridinesulfonyl chlorideDTXSID70936483RefChem:870744DTXCID80970398688-270-1813222-82-1pyridine-3-sulfonylchlorideMFCD034527473-Pyridylsulfonyl chloridem-Pyridinesulfonyl Chloride

이름 더 보기

3-Pyridine sulphonyl chloride3-PYRIDINESULFONYL CHLORIDE HYDROCHLORIDEPYRIDINE-3-SULPHONYL CHLORIDE HYDROCHLORIDEVonoprazan-8Vonoprazan-029TAK438 Impurity 68Vonolazan impurity 8Vonorazan Impurity 66Vonoprazan Impurity 50

Vonoprazan Impurity 163-pyridinesulfonylchloride3-pyridinesulphonylchloride3-pyridinylsulfonyl chloridepyrid-3-ylsulfonyl chloridepyridin-3-sulfonyl chloridepyridine-3-sulphonylchloride3-pyridine sulfonyl chloride

데이터베이스 식별자

CAS: 16133-25-8
PubChem CID: 3164136
DTXSID: DTXSID70936483
UNII: QB86L75A7T
EC Number: 688-270-1
Nikkaji: J2.492.128J

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 55.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 144 °C · 144 °C
끓는 점: 284 ℃ · 284℃
밀도: 1.488 · 1.488
굴절률: 20 · n20/D 1.556
인화점: 126 ℃ · 126℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): -1.77 · -1.77±0.11(Predicted)
색상: 무색~연황색
안정성: 수분에 민감한
InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKey: CDRNYKLYADJTMN-UHFFFAOYSA-N
SMILES: C1=NC=CC=C1S(Cl)(=O)=O
LogP: 1.75 · 1.75

화학적 성질

It is a colorless, transparent liquid. It is extremely unstable when in contact with water and is easily hydrolyzed to generate pyridine-3-sulfonic acid and hydrochloric acid, which makes it lose its reactivity.

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 10-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27084

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

안전 데이터

wgk: 3
ridadr: 3261
HS 번호: 2933399990
risk_code: 34-43
hazard_code: Xi,C
safety_code: 26-36/37/39-45
포장분류: Ⅲ
위험 등급: IRRITANT
Hazard Classifications: Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도3-pyridinesulfonyl Chloride is a reagent used in the synthesis of pyrimidine derivatives with anti-proliferative activity against negative breast cancer cells.