4-chloropyridine-2-carbonyl Chloride

HCID 11095146CAS 53750-66-6

기본 정보

표준 SMILES: O=C(Cl)c1cc(Cl)ccn1
InChIKey: FYBNFLRGZHGUDY-UHFFFAOYSA-N
분자식: C6H3Cl2NO
평균 분자량: 176 g/mol
단동위원소 질량: 174.95916908

이름 및 식별자

우선 이름: 4-chloropyridine-2-carbonyl Chloride
IUPAC: 4-chloropyridine-2-carbonyl chloride
영어명: 4-Chloro-pyridine-2-carbonyl chloride
분자식: C6H3Cl2NO
분자량: 176

이름 및 동의어

53750-66-64-chloropyridine-2-carbonyl ChlorideDTXSID60454969RefChem:292162DTXCID50405788843-682-24-Chloro-pyridine-2-carbonyl chloride4-chloropicolinoyl chlorideMFCD084470762-Pyridinecarbonyl chloride, 4-chloro-4-chloropicolinoylchlorideSorafenib Impurity 46

이름 더 보기

SKL12864-chloropyridine-2-acetyl chloride4-Chloropyridine-2-carbonyl chlorid(4-chloropyridin-2-yl)(forMyl)chloranuide4-Chloro-2-(chlorocarbonyl)pyridine, 4-Chloropicolinoyl chloride

4-chloro picolinoyl chlorideSCHEMBL1779404-chloropicolinic acid chlorideSCHEMBL316072154-chloro-picolinic acid chlorideFYBNFLRGZHGUDY-UHFFFAOYSA-N4-CHLOROPHCOLINOYL CHLORIDESMSSF-0625418

데이터베이스 식별자

CAS: 53750-66-6
PubChem CID: 11095146
DTXSID: DTXSID60454969
EC Number: 843-682-2

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 30 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

끓는 점: 227.2 · 227.2±20.0 °C(Predicted)
밀도: 1.454 · 1.454±0.06 g/cm3(Predicted)
산도 계수 (pKa): -1.45 · -1.45±0.10(Predicted)
InChI: InChI=1S/C6H3Cl2NO/c7-4-1-2-9-5(3-4)6(8)10/h1-3H
InChIKey: FYBNFLRGZHGUDY-UHFFFAOYSA-N
SMILES: C(Cl)(C1=NC=CC(Cl)=C1)=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, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.