CAS 2459-09-8 Methyl isonicotinate (HCID 227085)

이름 및 식별자

우선 이름: Methyl isonicotinate
IUPAC: methyl pyridine-4-carboxylate
영어명: Methyl isonicotinate
분자식: C7H7NO2
분자량: 137.14

이름 및 동의어

Methyl isonicotinate2459-09-84-Pyridinecarboxylic acid, methyl esterIsonicotinic acid methyl ester4-CarbomethoxypyridineUNII-AH74GPR4IKAH74GPR4IKNSC-182574-pyridinecarboxylic acid methyl esterDTXSID9062433EINECS 219-546-8NSC 18257

이름 더 보기

Methyl isonicotiteRARECHEM AL BF 0097methyl isonicoitateMethylIsonicotinate>Topiroxostat impurity DIsonicotinic acid methyl

Pyridine-4-carboxylic acid, methyl ester4MethoxycarbonylpyridineRefChem:157908Methyl 4pyridinecarboxylateDTXCID50371034Pyridinecarboxylic acid, methyl esterInChI=1/C11H9NO/c13-8-10-6-7-11(12-10)9-4-2-1-3-5-9/h1-8,12InChI=1/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H

데이터베이스 식별자

CAS: 2459-09-8
PubChem CID: 227085
DTXSID: DTXSID9062433
ChEMBL: CHEMBL2251612
UNII: AH74GPR4IK
EC Number: 219-546-8
Nikkaji: J39.099B

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 119

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

SpringerMaterials PropertiesSchoenflies notation

LogP0.87

Vapor Pressure0.27 [mmHg]

Physical DescriptionColorless liquid; mp = 7-9 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 8 · 8-8.5 °C (lit.)
끓는 점: 207 · 207-209 °C (lit.)
밀도: 1.161 g/mL · 1.161 g/mL at 25 °C (lit.)
증기압: 32.2 Pa · 32.2Pa at 25℃
굴절률: 20 · n20/D 1.512(lit.)
인화점: 180 °F · 180 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 에틸아세테이트에 용해됨
산도 계수 (pKa): 1 · pK1:3.26(+1) (25°C)
물리적 상태: 액체
색상: 투명한 주황색에서 갈색까지
Specific Gravity: 1.001 · 1.001
수용성: 물에 약간 용해됩니다.
BRN: 114618 · 114618
InChI: 1S/C7H7NO2/c1-10-7(9)6-2-4-8-5-3-6/h2-5H,1H3
InChIKey: OLXYLDUSSBULGU-UHFFFAOYSA-N
SMILES: COC(=O)c1ccncc1
LogP: 0.464 at · 0.464 at 25℃
NIST: -4 · Pyridine-4-carboxylic acid, methyl ester(2459-09-8)
EPA: 4 · 4-Pyridinecarboxylic acid, methyl ester (2459-09-8)

화학적 성질

CLEAR ORANGE TO BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (93%): 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 57 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: 4-Pyridinecarboxylic acid, methyl ester

Status: Cease Manufacture Update: 01-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21203

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryA strong eye irritant; [Alfa Aesar MSDS] See Isonicotinic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (93%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: NA 1993 / PGIII
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: CBL
F 고인화성물질: 10
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information4-Pyridinecarboxylic acid, methyl ester: ACTIVE

응용 분야

용도Methyl Isonicotinate induces increased walking and take-off behaviour in western flower thrips, Frankliniella occidentalis.

상·하류 제품 정보

상류 원료

하류 제품

4-피리딘 메탄올 3-포르밀피라졸로[1,5-a]피리딘-5-카르복실산 메틸2-forMylisonicotinate N-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER 4-METHYL-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL 1-(4-피리디닐)-1,3-부탄디온 2-(4,5-디하이드로-3H-피롤-2-일)-피리딘 3-(피리딘-4-일)디히드로푸란-2(3H)-온 methyl 3-formylpyrazolo[1,5-a]pyridine-5-carboxylate methyl 2-(chloromethyl)isonicotinate

공급사100 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

화합물 노트

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Methyl isonicotinate

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