2-Chloro-4-cyanopyridine

HCID 568638CAS 33252-30-1

기본 정보

표준 SMILES: N#Cc1ccnc(Cl)c1
InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N
분자식: C6H3ClN2
평균 분자량: 138.55 g/mol
단동위원소 질량: 137.99847578

이름 및 식별자

우선 이름: 2-Chloro-4-cyanopyridine
IUPAC: 2-chloropyridine-4-carbonitrile
영어명: 2-Chloro-4-cyanopyridine
분자식: C6H3ClN2
분자량: 138.55

이름 및 동의어

2-Chloro-4-cyanopyridine33252-30-12-Chloroisonicotinonitrile2-Chloropyridine-4-carbonitrile2-Chloro-4-pyridinecarbonitrile4-Pyridinecarbonitrile, 2-chloro-Isonicotinonitrile, 2-chloro-DTXSID00340938Pyridine, 2-chloro-, 4-cyano-RefChem:86230DTXCID50292019608-852-0

이름 더 보기

2-4 - cyanopyridine chloride -2-CHLORO-4-CYANOPYRIDINE 2-CHLORO-ISONICOTINONITRILE2-Chloro-4-pyridinecarbonitrile,2-Chloro-4-cyanopyridineCompound Fr13742BUTTPARK 43\57-012-Chloro-4-cyanopyri6-Chloro-4-cyanopyridine

QRXBTPFMCTXCRD-UHFFFAOYSA-N2-Chloro-isonicotinonitrile4-Cyano-2-chloropyridineMFCD00174318U2S8C7U4ER2-chloro-4-cyano pyridine4-cyano-2-chloropyridinUNII-U2S8C7U4ER

데이터베이스 식별자

CAS: 33252-30-1
PubChem CID: 568638
DTXSID: DTXSID00340938
UNII: U2S8C7U4ER
EC Number: 608-852-0
Nikkaji: J1.584.180J

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 69 · 69-73 °C(lit.)
끓는 점: 104 · 104-106°C 15mm
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
인화점: 104 · 104-106°C/15mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -1.6 · -1.60±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 113927 · 113927
InChI: InChI=1S/C6H3ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H
InChIKey: QRXBTPFMCTXCRD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C#N)=C1

화학적 성질

White to off-white solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (16.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (16.4%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29333990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39-36/37
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도2-Chloro-4-cyanopyridine is an intermediate used to prepare pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). It is also used to synthesize pyridinyl-tetrazoles as scaffold to identify matrix MMP-13 inhibitors for treatment of osteoarthritis.