Methyl 2-Chloro-6-methylisonicotinate
기본 정보
- CAS
3998-90-1- 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 Ų
- 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
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
관련 반응
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