Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate

HCID 22013558CAS 128073-16-5

기본 정보

표준 SMILES: CCOC(=O)c1ncc(C(F)(F)F)cc1Cl
InChIKey: COMQYNZHBCNPNW-UHFFFAOYSA-N
분자식: C9H7ClF3NO2
평균 분자량: 253.6 g/mol
단동위원소 질량: 253.0117408

이름 및 식별자

우선 이름: Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
IUPAC: ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
영어명: Ethyl 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylate
분자식: C9H7ClF3NO2
분자량: 253.61

이름 및 동의어

128073-16-5ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylateDTXSID20621493RefChem:343374DTXCID50572247833-610-8ethyl 3-chloro-5-(trifluoromethyl)picolinateEthyl 3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylate2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)-, ethyl esterMFCD066564143-Chloro-5-trifluoromethylpyridine-2-carboxylic acid ethyl esterSY022679

이름 더 보기

3- chloro -5- three fluoromethyl pyridine -2- formateEthyl 5-(trifluoroMethyl)-3-chloropyridine-2-carboxylateEthyl3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate,96%2-Pyridinecarboxylic acid, 3-Chloro-5-(Trifluoromethyl)-, et...

E1202EN300-736223-Chloro-5-(trifluoromethyl)picolinic Acid Ethyl Ester3-Chloro-5-(trifluoromethyl)2-pyridinecarboxylic acid ethyl esterSCHEMBL709544SCHEMBL304531403-Chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid ethyl esterGEO-03228

데이터베이스 식별자

CAS: 128073-16-5
PubChem CID: 22013558
DTXSID: DTXSID20621493
EC Number: 833-610-8

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 260

물리화학적 성질

끓는 점: 64 · 64-66℃/0.008mm
밀도: 1.389 · 1.389±0.06 g/cm3(Predicted)
굴절률: 1.459 to · 1.4590 to 1.4630
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): -3.19 · -3.19±0.10(Predicted)
색상: Colorless to Light orange to Yellow
InChI: InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)3-5(4-14-7)9(11,12)13/h3-4H,2H2,1H3
InChIKey: COMQYNZHBCNPNW-UHFFFAOYSA-N
SMILES: C1(C(OCC)=O)=NC=C(C(F)(F)F)C=C1Cl
EPA: 2 · 2-Pyridinecarboxylic acid, 3-chloro-5-(trifluoromethyl)-, ethyl ester (128073-16-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.