5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester

HCID 18996919
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기본 정보

CAS
124236-37-9
표준 SMILES
COC(=O)c1ccc(C(F)(F)F)cn1
InChIKey
CHRQADSGOKVKER-UHFFFAOYSA-N
분자식
C8H6F3NO2
평균 분자량
205.13 g/mol
단동위원소 질량
205.03506292

이름 및 식별자

우선 이름
5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester
IUPAC
methyl 5-(trifluoromethyl)pyridine-2-carboxylate
영어명
5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester
분자식
C8H6F3NO2
분자량
205.13

이름 및 동의어

5-Trifluoromethyl-pyridine-2-carboxylic acid methyl esterRefChem:537989675-787-2124236-37-9methyl 5-(trifluoromethyl)picolinateMethyl 5-(trifluoromethyl)pyridine-2-carboxylate2-Pyridinecarboxylic acid, 5-(trifluoromethyl)-, methyl esterMFCD08741523Methyl5-(trifluoromethyl)picolinateMethyl 5-(Trifluoromethyl)-2-Pyridinecarboxylate5-TRIFLUOROMETHYL-PYRIDINE-2-CARBOXYLICACIDMETHYLESTERAC-27889
이름 더 보기
METHYL 5-(TRIFLUOROMETHYL)PYRIDIN-CARBOXYLATEmethyl 5-trifluoromethyl-2-pyridinecarboxylateMethyl 3-(trifluoroMethyl)-5-pyridinecarboxylatemethyl 5-(trifluoromethyl)pyridine-2-carboxylate - [M3501]2-Pyridinecarboxylic acid,5-(trifluoromethyl)-,methyl ester5-TRIFLUOROMETHYL-PYRIDINE-2-CARBOXYLICACIDMETHYLESTER ISO 9001：2015 REACH
SY022681SCHEMBL472553SCHEMBL30397090DTXSID50597233SBB093433AKOS005255958AB48792CS-W015384

데이터베이스 식별자

CAS
124236-37-9
PubChem CID
18996919
DTXSID
DTXSID50597233
EC Number
675-787-2

물성

구조 계산 물성

XLogP
1.9
극성 표면적
39.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
14

물리화학적 성질

끓는 점
248 · 248.0±40.0 °C(Predicted)
밀도
1.331 · 1.331±0.06 g/cm3(Predicted)
저장 조건
Inert atmosphere,Room Temperature
물리적 상태
solid
산도 계수 (pKa)
-0.73 · -0.73±0.10(Predicted)
InChI
InChI=1S/C8H6F3NO2/c1-14-7(13)6-3-2-5(4-12-6)8(9,10)11/h2-4H,1H3

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, 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 4 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 (25%)

안전 데이터

wgk
3
HS 번호
2933399990
risk_code
22-41
hazard_code
Xi,Xn
safety_code
26-39
위험 등급
IRRITANT

화학 및 산업

응용 분야 · 1건

용도5-Trifluoromethyl-pyridine-2-carboxylic acid methyl ester is a pharmaceutical intermediate for naphthoquinone derivatives used in the treatment of oxidative stress disorders, modulators of cystic fibrosis transmembrane conductance modulators.

상·하류 제품 정보

공급사100 곳

阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

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