Ethyl 6-Bromopicolinate

HCID 2758810

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21190-88-5
표준 SMILES: CCOC(=O)c1cccc(Br)n1
InChIKey: OONBOXSIWCBAHZ-UHFFFAOYSA-N
분자식: C8H8BrNO2
평균 분자량: 230.06 g/mol
단동위원소 질량: 228.9738406

이름 및 식별자

우선 이름: Ethyl 6-Bromopicolinate
IUPAC: ethyl 6-bromopyridine-2-carboxylate
영어명: Ethyl 6-bromopicolinate
분자식: C8H8BrNO2
분자량: 230.06

이름 및 동의어

ethyl 6-bromopicolinateRefChem:595931673-818-421190-88-5ethyl 6-bromopyridine-2-carboxylate6-Bromopyridine-2-carboxylic acid ethyl esterEthyl 6-bromo-2-pyridinecarboxylateMFCD041169136-Bromopicolinic Acid Ethyl Esterethyl-6-bromo-2-pyridinecarboxylateSCHEMBL1980546-bromo-pyridine-2-carboxylic acid ethyl ester

이름 더 보기

RARECHEM AL BI 08992,5-Difluoro-5-iodopyridine2-Bromo-6-(ethoxycarbonyl)pyridine6-BROMOPYRIDINE-2-ETHYL CARBOXYLATEMETHYL 2-BROMOPYRIDINE-6-CARBOXYLATE

2-Bromo-6-pyridine-carboxylic acid ethyl esterZ12093885852-Pyridinecarboxylic acid, 6-bromo-, ethyl esterethyl-6-bromopicolinateethyl6-bromopyridine-2-carboxylateethyl6-bromopicolinateEthyl 6-Bromo-2-picolinateSCHEMBL29911292

데이터베이스 식별자

CAS: 21190-88-5
PubChem CID: 2758810
DTXSID: DTXSID00374495
EC Number: 673-818-4
Nikkaji: J980.830B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 41 · 41-42°C
끓는 점: 302.7 · 302.7±22.0 °C(Predicted)
밀도: 1.501 · 1.501±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): -0.89 · -0.89±0.10(Predicted)
물리적 상태: 고체
색상: 회백색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (40%)

안전 데이터

HS 번호: 2933399990
risk_code: 36
hazard_code: Xi
safety_code: 26

화학 및 산업

응용 분야

용도ethyl 6-bromopicolinate is a model compound for the preliminary screening of dimerization reaction.

제조 방법 · 1건

Ethyl 6-bromopicolinate was prepared by monolithiation of 2,6-dibromopyridine followed by a reaction with ethyl formate and subsequently by a reaction with iodine in ethanol (Scheme 57). This three-step procedure furnished the required ethyl 6-bromopicolinate in 45% yield.Synthesis of Ethyl 6-bromopicolinate