메틸6-브로모-3-하이드록시피콜리네이트

Methyl 6-bromo-3-hydroxypicolinate

HCID 22175135

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 321601-48-3
표준 SMILES: COC(=O)c1nc(Br)ccc1O
InChIKey: UGFPNFKMYRHGBG-UHFFFAOYSA-N
분자식: C7H6BrNO3
평균 분자량: 232.03 g/mol
단동위원소 질량: 230.95310515

이름 및 식별자

우선 이름: Methyl 6-bromo-3-hydroxypicolinate
IUPAC: methyl 6-bromo-3-hydroxypyridine-2-carboxylate
현지명: 메틸6-브로모-3-하이드록시피콜리네이트
영어명: Methyl 6-broMo-3-hydroxypicolinate
분자식: C7H6BrNO3
분자량: 232.03

이름 및 동의어

Methyl 6-bromo-3-hydroxypicolinateRefChem:817311874-982-1321601-48-3methyl 6-bromo-3-hydroxypyridine-2-carboxylateMFCD128280552-Pyridinecarboxylic acid, 6-bromo-3-hydroxy-, methyl esterSCHEMBL388845methyl 6-bromo-3-hydroxy-2-pyridinecarboxylateDTXSID40623252Methyl6-bromSCHEMBL29829085

이름 더 보기

메틸6-브로모-3-하이드록시피콜리네이트6-Bromo-3-hydroxy-2-pyridinecarboxylic acid methyl estermethyl 6-bromo-3-hydroxypyridine-2-carboxylate - [M86479]6-Bromo-3-hydroxy-pyridine-2-carboxylic acid methyl ester

Methyl6-bromo-3-hydroxypicolinateUGFPNFKMYRHGBG-UHFFFAOYSA-NAKOS016007011PB42540AC-27209AS-33296SY0978366-bromo-3-hydroxypicolinic acid methyl ester

데이터베이스 식별자

CAS: 321601-48-3
PubChem CID: 22175135
DTXSID: DTXSID40623252
EC Number: 874-982-1

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 59.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 176

물리화학적 성질

끓는 점: 388.8 · 388.8±37.0 °C(Predicted)
밀도: 1.716 · 1.716±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 3.49 · 3.49±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.