Methyl 5-bromopyridine-3-carboxylate

HCID 699336CAS 29681-44-5

기본 정보

표준 SMILES: COC(=O)c1cncc(Br)c1
InChIKey: AAJZXPWBILCHAW-UHFFFAOYSA-N
분자식: C7H6BrNO2
평균 분자량: 216.03 g/mol
단동위원소 질량: 214.95819053

이름 및 식별자

우선 이름: Methyl 5-bromopyridine-3-carboxylate
IUPAC: methyl 5-bromopyridine-3-carboxylate
영어명: Methyl 5-bromonicotinate
분자식: C7H6BrNO2
분자량: 216.03

이름 및 동의어

Methyl 5-bromopyridine-3-carboxylateRefChem:816988627-974-5Methyl 5-bromonicotinate29681-44-55-Bromonicotinic acid methyl ester5-bromo nicotinic acid methyl ester3-PYRIDINECARBOXYLIC ACID, 5-BROMO-, METHYL ESTER5-Bromo-3-pyridinecarboxylic Acid Methyl EsterMFCD00173668methyl-5-bromonicotinate3-bromo-5-pyridinecarboxylic acid methyl ester

이름 더 보기

BUTTPARK 37\04-20Methyl5-Bromonicotinate>5-bromopyridine-3-carboxyLMethyl 5-bromonicotinate,98%Methyl 5-bromonicotinate, 97%,5-Bromonictinic acid ethyl ester5-BROMONICOTIC ACID METHYL ESTER3-(Methoxycarbonyl)-5-bromopyridine

5-Bromopyridine-3-carboxylic acid methyl ester3-Bromo-5-methoxycarbonylpyridineDTXSID70351394HMS1445C20Methyl 5-Bromo-3-pyridinecarboxylateRB1030methyl-5-bromo-pyridine-3-carboxylateAC-7244

데이터베이스 식별자

CAS: 29681-44-5
PubChem CID: 699336
DTXSID: DTXSID70351394
UNII: LCU8QJK978
EC Number: 627-974-5
Nikkaji: J258.418B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 96 · 96-100 °C
끓는 점: 241.7 · 241.7±20.0 °C(Predicted)
밀도: 1.579 · 1.579±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 0.84 · 0.84±0.20(Predicted)
색상: 하얀색
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-6(8)4-9-3-5/h2-4H,1H3
InChIKey: AAJZXPWBILCHAW-UHFFFAOYSA-N
SMILES: C1=NC=C(Br)C=C1C(OC)=O

화학적 성질

white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 49 reports by companies from 8 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: 29333990
risk_code: 37/38-41-36/37/38
hazard_code: Xi
safety_code: 26-39-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도A substrate used in a microwave-assisted, palladium-catalyzed arylation of acetone as its TMS enol ether.

상·하류 제품 정보

상류 원료

하류 제품

2-(5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)propan-2-ol 3-BroMo-5-(프로프-1-엔-2-일)피리딘 Methyl 5-methylnicotinate 5-Bromo-3-pyridinemethanol Methyl 5-aminopyridine-3-carboxylate 메틸5-(4-(트리플루오로메틸)페닐)피리딘-3-카르복실레이트 메틸5-(3-(트리플루오로메틸)페닐)피리딘-3-카르복실레이트 메틸5-(피리딘-4-일)피리딘-3-카복실레이트 5-Bromonicotinic acid

공급사50 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]

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

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

연결된 노트

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