Methyl 2-Chloro-6-methylisonicotinate

HCID 2759833CAS 3998-90-1

기본 정보

표준 SMILES: COC(=O)c1cc(C)nc(Cl)c1
InChIKey: BDWMGYZSQKGUFA-UHFFFAOYSA-N
분자식: C8H8ClNO2
평균 분자량: 185.61 g/mol
단동위원소 질량: 185.02435618

이름 및 식별자

우선 이름: Methyl 2-Chloro-6-methylisonicotinate
IUPAC: methyl 2-chloro-6-methylpyridine-4-carboxylate
영어명: Methyl 2-chloro-6-methylpyridine-4-carboxylate
분자식: C8H8ClNO2
분자량: 185.61

이름 및 동의어

3998-90-1Methyl 2-chloro-6-methylisonicotinateDTXSID60374931RefChem:354201DTXCID40325961627-727-1Methyl 2-chloro-6-methylpyridine-4-carboxylateMethyl 2-chloro-6-picoline-4-carboxylateMFCD040383912-chloro-6-picoline-4-carboxylic acid methyl esterAB17061PS-6097

이름 더 보기

ETHYL 2-CHLORO-6-METHYLISONICOTINATE2-METHOXYL-5-NITROPICOLINEMethyl 2-Chloro-6-methylisonicotite2-Chloro-6-methyl methylisonicotinateMethyl2-Chloro-6-methylisonicotinate>METHYL 2-CHLORO-6-METHYLPYRIDINE-4-CARB&Methyl 2-chloro-6-methylisonicotinate 97%methyl 6-chloro-2-methylpyridine-4-carboxylate

AC-23148M2239methyl-2-chloro-6-methylpyridine-4-carboxylate2-Chloro-6-methylisonicotinic Acid Methyl Ester2-chloro-6-methyl-isonicotinic acid methyl esterMethyl 2-chloro-6-methylpyridine-4-carboxylate, 97%2-chloro-6-p2-Chloro-6-methylpyridine-4-carboxylic Acid Methyl Ester

데이터베이스 식별자

CAS: 3998-90-1
PubChem CID: 2759833
DTXSID: DTXSID60374931
EC Number: 627-727-1
Nikkaji: J2.414.762B

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 58 · 58-62 °C(lit.)
끓는 점: 124 · 124-125 °C7 mm Hg(lit.)
밀도: 1.247 · 1.247±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -0.19 · -0.19±0.10(Predicted)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C8H8ClNO2/c1-5-3-6(8(11)12-2)4-7(9)10-5/h3-4H,1-2H3
InChIKey: BDWMGYZSQKGUFA-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(C(OC)=O)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 37/38-41-43
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant
Hazard Classifications: Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl 2-Chloro-6-methylisonicotinate is used in the synthesis of pyridine derivatives as antitubercular agents

상·하류 제품 정보

상류 원료

하류 제품

(2-chloro-6-methylpyridin-4-yl)methanol

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

연결된 노트

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