2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile

HCID 2733849CAS 82671-02-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#Cc1cc(F)c(Cl)nc1Cl
InChIKey: DEDKKOOGYIMMBC-UHFFFAOYSA-N
분자식: C6HCl2FN2
평균 분자량: 190.99 g/mol
단동위원소 질량: 189.95008161

개요

2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile is a nitrile and a member of pyridines.

이름 및 식별자

우선 이름: 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
IUPAC: 2,6-dichloro-5-fluoropyridine-3-carbonitrile
영어명: 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
분자식: C6HCl2FN2
분자량: 190.99

이름 및 동의어

2,6-Dichloro-5-fluoro-3-pyridinecarbonitrileRefChem:445422628-096-582671-02-12,6-dichloro-5-fluoronicotinonitrile2,6-Dichloro-3-cyano-5-fluoropyridine2,6-dichloro-5-fluoropyridine-3-carbonitrileC6HCl2FN23-CYANO-2,6-DICHLORO-5-FLUOROPYRIDINEMFCD018632892,6-dichloro-5-fluoro-pyridine-3-carbonitrile3-Pyridinecarbonitrile, 2,6-dichloro-5-fluoro-

이름 더 보기

Fluoronicotinitrile2,6-Dichloro-5-fluorFluorochloronicotinoid6-Dichloro-3-cyano-5-fluoropyridine3-cyano-5-fluoro-2,6-Dihydroxypyridine

2,6-Dichloro-5-fluoro-3-nicotinonitrileAKOS0050640812,6-dichloro-3-fluoro-5-cyanopyridinD3972EN300-1251392,6-Dichloro-5-fluoro-3-pyridinecarbonitrile, 98%2,6-Dichloro-5-fluoro-3-cyanopyridine2,6-Dichloro-5-fluoro-nicotinonitrile

데이터베이스 식별자

CAS: 82671-02-1
PubChem CID: 2733849
DTXSID: DTXSID80370016
ChEBI: CHEBI:194733
UNII: W7V4DG9YQS
EC Number: 628-096-5
Nikkaji: J3.423.143E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 190

물리화학적 성질

녹는점: 89 · 89-91 °C (lit.)
끓는 점: 267.8 · 267.8±35.0 °C(Predicted)
밀도: 1.6175 · 1.6175 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 메탄올에 용해됨
산도 계수 (pKa): -6.91 · -6.91±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 연노랑
InChI: InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H
InChIKey: DEDKKOOGYIMMBC-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=C(F)C=C1C#N

화학적 성질

light yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (44.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (44.7%)

안전 데이터

wgk: 3
ridadr: 3439
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile is a pyridine derivative. It is a fluorinated heterocyclic building block used in chemical synthesis.