2-(Trifluoromethyl)pyridine-4-carboxylic acid

HCID 14761447CAS 131747-41-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccnc(C(F)(F)F)c1
InChIKey: BZFGKBQHQJVAHS-UHFFFAOYSA-N
분자식: C7H4F3NO2
평균 분자량: 191.11 g/mol
단동위원소 질량: 191.01941303

개요

2-(Trifluoromethyl)isonicotinic acid is a member of pyridines and an aromatic carboxylic acid.

이름 및 식별자

우선 이름: 2-(Trifluoromethyl)pyridine-4-carboxylic acid
IUPAC: 2-(trifluoromethyl)pyridine-4-carboxylic acid
영어명: 2-(Trifluoromethyl)isonicotinic acid
분자식: C7H4F3NO2
분자량: 191.11

이름 및 동의어

131747-41-62-(trifluoromethyl)pyridine-4-carboxylic acidDTXSID10563696RefChem:254934DTXCID20514472662-939-82-(trifluoromethyl)isonicotinic acid2-Trifluoromethyl-isonicotinic acidMFCD077741322-(Trifluoromethyl)-4-pyridinecarboxylic acidFS-2591SY035544

이름 더 보기

CAS:131747-41-62-(Trifluoromethyl)isonicotinicac2-(Trifluoromethyl)IsonicotinicAci2-(Trifluoromethyl)isonicotinicacid97%2-(Trifluoromethyl)isonicotinic acid 97%2-trifluoromethyl-4-pyridinecarboxylic acid2-(trifluoroMethyl)pyridin-4-carboxylic acid2-(Trifluoromethyl)pyridine-4-carBoxylicacid2-(Trifluoromethyl)Isonicotinic Acid(WX614149)

T3269EN300-960224-PYRIDINECARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-2-(Trifluoromethyl)isonicotinicacidAM20050762FT-0649976SCHEMBL503171SCHEMBL29427285

데이터베이스 식별자

CAS: 131747-41-6
PubChem CID: 14761447
DTXSID: DTXSID10563696
ChEBI: CHEBI:231005
EC Number: 662-939-8
Nikkaji: J2.008.065E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 204

물리화학적 성질

녹는점: 217 · 217-223℃
끓는 점: 338.9 · 338.9±42.0 °C(Predicted)
밀도: 1.484 · 1.484±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 2.94 · 2.94±0.10(Predicted)
물리적 상태: 고체
색상: 회백색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
InChIKey: BZFGKBQHQJVAHS-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=NC=CC(C(O)=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.7%): 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 43 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 (97.7%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 26-36/37/39
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-(Trifluoromethyl)isonicotinic Acid is useful reactant for the preparation of RAF709 as selective RAF inhibitor targeting RAS mutant cancer.

상·하류 제품 정보

상류 원료

3-Buten-2-one, 1,1,1-trifluoro-4-(2-furanyl)-Pyridine, 4-(2-furanyl)-2-(trifluoromethyl)-3-Iodo-2-(trifluoromethyl)pyridine 2-(Trifluoromethyl)pyridin-4-ol 2-Bromopyridine-4-carboxylic acid 2-트리플루오로메틸-이소니코티노니트릴 4-Iodo-2-(trifluoromethyl)pyridine 2-Trifluoromethyl-4-chloropyridine 2-(Trifluoromethyl)pyridine carbon monoxide 이산화탄소 트리메틸알루미늄

하류 제품

2-Trifluoromethyl-6-pyridinecarboxylic acid 2-(트리플루오로메틸)이소니코티노일클로라이드

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

常熟市海天医药原料有限公司13913622609

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