2-클로로-피리미딘-5-술포닐염화물

2-Chloropyrimidine-5-sulfonyl chloride

HCID 43244366CAS 98026-88-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=S(=O)(Cl)c1cnc(Cl)nc1
InChIKey: DMAOAJYJIATWJS-UHFFFAOYSA-N
분자식: C4H2Cl2N2O2S
평균 분자량: 213.04 g/mol
단동위원소 질량: 211.9214039

이름 및 식별자

우선 이름: 2-Chloropyrimidine-5-sulfonyl chloride
IUPAC: 2-chloropyrimidine-5-sulfonyl chloride
현지명: 2-클로로-피리미딘-5-술포닐염화물
영어명: 2-Chloro-pyrimidine-5-sulfonyl chloride
분자식: C4H2Cl2N2O2S
분자량: 213.04

이름 및 동의어

98026-88-12-chloropyrimidine-5-sulfonyl chlorideDTXSID30655769RefChem:259565DTXCID30606519801-061-32-CHLORO-PYRIMIDINE-5-SULFONYL CHLORIDE2-CHLORO-5-PYRIMIDINESULFONYL CHLORIDEMFCD066572082-Chloropyrimidine-5-sulfonylchloride5-Pyrimidinesulfonyl chloride, 2-chloro-AKOS009132858

이름 더 보기

2-클로로-피리미딘-5-술포닐염화물2-Chloro-pyrimidine-5-sulphonylchloride

CS-W004646CS-0067140EN300-31378F31292Z2551508902-Chloro-Pyrimidine-5-SulfonylChlorideSCHEMBL16969DMAOAJYJIATWJS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 98026-88-1
PubChem CID: 43244366
DTXSID: DTXSID30655769
EC Number: 801-061-3

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 217

물리화학적 성질

녹는점: 66 · 66-67 °C
끓는 점: 383.2 · 383.2±15.0 °C(Predicted)
밀도: 1.711 · 1.711±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, stored under nitrogen
산도 계수 (pKa): -5.59 · -5.59±0.22(Predicted)
물리적 상태: 결정성 분말 또는 분말
색상: 흰색에서 크림색으로
InChI: InChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H
InChIKey: DMAOAJYJIATWJS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(S(Cl)(=O)=O)C=N1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.