3-Cyano-2-fluoropyridine

HCID 2783254

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3939-13-7
표준 SMILES: N#Cc1cccnc1F
InChIKey: USIDQCCXMGJOJM-UHFFFAOYSA-N
분자식: C6H3FN2
평균 분자량: 122.1 g/mol
단동위원소 질량: 122.02802632

이름 및 식별자

우선 이름: 3-Cyano-2-fluoropyridine
IUPAC: 2-fluoropyridine-3-carbonitrile
영어명: 3-Cyano-2-fluoropyridine
분자식: C6H3FN2
분자량: 122.1

이름 및 동의어

3-Cyano-2-fluoropyridine3939-13-72-fluoro-3-pyridinecarbonitrileDTXSID40382539RefChem:500580DTXCID20333564678-765-02-fluoronicotinonitrile2-fluoropyridine-3-carbonitrileMFCD030950822-fluoronicotin-onitrile2-Fluoro-nicotinonitrile

이름 더 보기

3-Cyano-2-fluoropyri2-Fluoro-3-cyanopridine4-Fluoro-nicotinonitrile3-Fluoro-4-cyanopyridine3-Cyano-4-fluoropyridine3-Cyano-2-fluoropyridine,98%3-Cyano-2-fluoropyridine >

2-fluoro-3-cyanopyridineSCHEMBL317521AC-262313-Pyridinecarbonitrile, 2-fluoro-FT-0615542SCHEMBL7759372SCHEMBL29422876CS-D1001

데이터베이스 식별자

CAS: 3939-13-7
PubChem CID: 2783254
DTXSID: DTXSID40382539
EC Number: 678-765-0
Nikkaji: J594.820G

물성

구조 계산 물성

XLogP: 1
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 27 · 27-30°C
끓는 점: 214.6 · 214.6±20.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
인화점: 98 ℃ · 98℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: powder to lump
산도 계수 (pKa): -3.88 · -3.88±0.10(Predicted)
색상: White to Dark green
BRN: 386567 · 386567
InChI: InChI=1S/C6H3FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChIKey: USIDQCCXMGJOJM-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC=C1C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 3276
HS 번호: 29333990
risk_code: 20/21/22-36/37/38-5-36/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-36-24/25-23-3
포장분류: III
위험 등급: 6.1
위험 참고 사항: Harmful/Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도3-Cyano-2-fluoropyridine have been successfully used in preparation of compounds with diverse spectrum of biological activity. Other 3-cyano-2-fluoropyridine can potentially be used as promising agents for the positron emission tomography (PET). Additionally, it has previously been demonstrated that 3-cyanopyridines can be transformed into -amides, -carboxylic acids, and -esters.