2-Cyano-3,5-difluoropyridine

HCID 2783253CAS 298709-29-2

기본 정보

표준 SMILES: N#Cc1ncc(F)cc1F
InChIKey: WLBIFECTHKFYKV-UHFFFAOYSA-N
분자식: C6H2F2N2
평균 분자량: 140.09 g/mol
단동위원소 질량: 140.0186045

이름 및 식별자

우선 이름: 2-Cyano-3,5-difluoropyridine
IUPAC: 3,5-difluoropyridine-2-carbonitrile
영어명: 2-Cyano-3,5-difluoropyridine
분자식: C6H2F2N2
분자량: 140.09

이름 및 동의어

2-Cyano-3,5-difluoropyridine298709-29-2DTXSID80382538RefChem:259613DTXCID60333563678-766-63,5-difluoropicolinonitrile3,5-difluoropyridine-2-carbonitrile3,5-Difluoro-2-cyanopyridineMFCD037887593,5-difluoro-2-pyridincarbonitrile3,5-Difluoro-pyridine-2-carbonitrile

이름 더 보기

2-cyano-difluoropyridine3,5-Difluoropicolinitrile2-Cyano-3,5-difluorophenol3,5-DIFLURO-2-CYANOPYRIDINE3,5-difluoronicotinonitrile2-Cyano-3,5-difluorpyridine2-Cyano-3,5-difluoropyridine >

AKOS005063486SY012024C2753EN300-84245BCP22078SCHEMBL186339orb29403333,5-difluoro-2-cyano pyridine

데이터베이스 식별자

CAS: 298709-29-2
PubChem CID: 2783253
DTXSID: DTXSID80382538
EC Number: 678-766-6

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 32 · 32-34°C
끓는 점: 187.8 · 187.8±35.0 °C(Predicted)
밀도: 1.36 · 1.36±0.1 g/cm3(Predicted)
인화점: 90 ℃ · 90℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -5.16 · -5.16±0.20(Predicted)
색상: White to Orange to Green
InChI: InChI=1S/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey: WLBIFECTHKFYKV-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(F)C=C1F

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (82.6%): Toxic if swallowed [Danger Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (82.6%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 2933399990
risk_code: 20/21/22-36/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요2-Cyano-3,5-difluoropyridine is a difluorinated cyanopyridine compound exhibiting high electron-withdrawing properties. Consequently, its fluorine substituents readily undergo nucleophilic aromatic substitution reactions. This characteristic renders the compound extensively utilised in pharmaceutical synthesis, electronic materials, and organic synthesis applications.

용도2-Cyano-3,5-difluoropyridine is a versatile reactant used in the preparation of potent and selective inhibitors of DPP-4 that exhibit an attractive pharmacokinetic profile as antidiabetics.