CAS 26218-75-7 Methyl 6-bromopyridine-2-carboxylate (HCID 16217886)

기본 정보

CAS: 26218-75-7
표준 SMILES: COC(=O)c1cccc(Br)n1
InChIKey: SGNCOKUHMXLGAH-UHFFFAOYSA-N
분자식: C7H6BrNO2
평균 분자량: 216.03 g/mol
단동위원소 질량: 214.95819053

이름 및 식별자

우선 이름: Methyl 6-bromopyridine-2-carboxylate
IUPAC: methyl 6-bromopyridine-2-carboxylate
영어명: Methyl 6-bromopicolinate
분자식: C7H6BrNO2
분자량: 216.03

이름 및 동의어

26218-75-7Methyl 6-bromopyridine-2-carboxylateMethyl 6-bromo-2-pyridinecarboxylateDTXSID50584623RefChem:817331DTXCID60535388627-687-5Methyl 6-bromopicolinate6-Bromopyridine-2-carboxylic Acid Methyl Ester6-Bromopicolinic acid methyl esterMethyl-6-bromopyridine-2-carboxylate2-PYRIDINECARBOXYLIC ACID, 6-BROMO-, METHYL ESTER

이름 더 보기

Methyl-2-Bromo pyridine-6-carboxilateRARECHEM AL BF 08996-Bromopyridine-2-carboxyL6-Bromopyridine-2-carboxylateMethyl 6-broMo-2-pyridinecarboxylatMethyl 6-Bromoyridine-2-carboxylateMethy16-bromopyridine-2-carboxylate

MFCD06203934Methyl6-bromopicolinatePS-4896AC-249552-BROMO-6-NICOTINIC ACID METHYL ESTERmethyl-6-bromopicolinateBCP21665methyl 6-bromo-pyrid

데이터베이스 식별자

CAS: 26218-75-7
PubChem CID: 16217886
DTXSID: DTXSID50584623
EC Number: 627-687-5
Nikkaji: J149.544E

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: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 92 · 92-96 °C(lit.)
끓는 점: 289.7 · 289.7±20.0 °C(Predicted)
밀도: 1.579 · 1.579±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): -1.03 · -1.03±0.10(Predicted)
물리적 상태: 결정질 분말 또는 바늘
색상: 흰색에서 연한 분홍색, 연한 갈색에서 노란색까지
InChI: InChI=1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3
InChIKey: SGNCOKUHMXLGAH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(Br)=CC=C1

화학적 성질

White to off-white solid

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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 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
hazard_code: Xi
safety_code: 26-39
위험 참고 사항: Harmful/Irritant/Keep Cold
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Methyl 6-bromopicolinate, also known as Methyl 6-bromopyridine-2-carboxylate, is a halogenated pyridine derivative that can be used in esterolysis reactions to form 6-Bromopicolinic acid.It can also be used in substitution reactions or cross-couplings to synthesise other pyridine compounds.