(5-트리플루오로메틸렌-피린-2-YL)-아세토니트릴

5-(Trifluoromethyl)pyridine-2-carbonitrile

HCID 1535372

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 95727-86-9
표준 SMILES: N#Cc1ccc(C(F)(F)F)cn1
InChIKey: WDSCJULUXJSJOX-UHFFFAOYSA-N
분자식: C7H3F3N2
평균 분자량: 172.11 g/mol
단동위원소 질량: 172.02483276

이름 및 식별자

우선 이름: 5-(Trifluoromethyl)pyridine-2-carbonitrile
IUPAC: 5-(trifluoromethyl)pyridine-2-carbonitrile
현지명: (5-트리플루오로메틸렌-피린-2-YL)-아세토니트릴
영어명: 5-(Trifluoromethyl)picolinonitrile
분자식: C7H3F3N2
분자량: 172.11

이름 및 동의어

95727-86-95-(trifluoromethyl)pyridine-2-carbonitrileDTXSID80364197RefChem:300752DTXCID603152435-(trifluoromethyl)picolinonitrile2-Cyano-5-(trifluoromethyl)pyridine2-PYRIDINECARBONITRILE, 5-(TRIFLUOROMETHYL)-2-Cyano-5-trifluoromethylpyridine5-(trifluoromethyl)-2-pyridinecarbonitrileMFCD010011195-trifluoromethyl-pyridine-2-carbonitrile

이름 더 보기

(5-트리플루오로메틸렌-피린-2-YL)-아세토니트릴(5-Trifluoromethyl-pyridin-2-yl)-acetonitril(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE5-(trifluoromethyl)pyridine-2-carbonitrile，98%2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)ACETONITRILE(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE ISO 9001：2015 REACH2-Cyano-5-(trifluoromethyl)pyridine, 5-(Trifluoromethyl)picolinonitrile

5-(triflu5-Trifluoromethylpyridine-2-carbonitrileSCHEMBL2553743SCHEMBL30841758SBB088574AKOS006223896AB07941AS-5476

데이터베이스 식별자

CAS: 95727-86-9
PubChem CID: 1535372
DTXSID: DTXSID80364197
EC Number: 676-285-6

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 202

물리화학적 성질

끓는 점: 232.3 · 232.3±40.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -2.75 · -2.75±0.10(Predicted)
물리적 상태: 고체
수용성: 물에 약간 용해됩니다.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.