에틸2-클로로-6-메틸피리딘-4-카르복실레이트

Ethyl 2-Chloro-6-methylisonicotinate

HCID 22625009

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3998-88-7
표준 SMILES: CCOC(=O)c1cc(C)nc(Cl)c1
InChIKey: UMAAIDIASQFLTF-UHFFFAOYSA-N
분자식: C9H10ClNO2
평균 분자량: 199.63 g/mol
단동위원소 질량: 199.04000624

이름 및 식별자

우선 이름: Ethyl 2-Chloro-6-methylisonicotinate
IUPAC: ethyl 2-chloro-6-methylpyridine-4-carboxylate
현지명: 에틸2-클로로-6-메틸피리딘-4-카르복실레이트
영어명: Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%
분자식: C9H10ClNO2
분자량: 199.63

이름 및 동의어

ethyl 2-chloro-6-methylisonicotinateRefChem:594296670-297-53998-88-7ETHYL 2-CHLORO-6-METHYLPYRIDINE-4-CARBOXYLATE2-Chloro-6-methylpyridine-4-carboxylic acid ethyl esterMFCD09842151ethyl 2-chloro-6-methyl-4-pyridinecarboxylate2-chloro-6-methylisonicotinic acid ethyl ester2-chloro-6-methyl-isonicotinic acid ethyl esterSCHEMBL1179728DTXSID70627046

이름 더 보기

에틸2-클로로-6-메틸피리딘-4-카르복실레이트Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%4-Pyridinecarboxylic acid, 2-chloro-6-Methyl-, ethyl esterJR-14076, Ethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%

UMAAIDIASQFLTF-UHFFFAOYSA-Nethyl2-chloro-6-methylisonicotinateSBB065620AKOS015891753CS-W010497DS-16894SY006034DB-027613

데이터베이스 식별자

CAS: 3998-88-7
PubChem CID: 22625009
DTXSID: DTXSID70627046
EC Number: 670-297-5

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 65 · 65-67°C
끓는 점: 107 °C/1.5mm · 107°C/1.5mm
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
인화점: 107 °C/1.5mm · 107°C/1.5mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -0.14 · -0.14±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: 1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)11-8(10)5-7/h4-5H,3H2,1-2H3
InChIKey: UMAAIDIASQFLTF-UHFFFAOYSA-N
SMILES: O=C(OCC)C1=CC(Cl)=NC(C)=C1

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.