2-브로모메틸-6-피리딘카르복실산메틸에스테르

Methyl 6-(bromomethyl)pyridine-2-carboxylate

HCID 21471714

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 146462-25-1
표준 SMILES: COC(=O)c1cccc(CBr)n1
InChIKey: GLLACFRFEBEMED-UHFFFAOYSA-N
분자식: C8H8BrNO2
평균 분자량: 230.06 g/mol
단동위원소 질량: 228.9738406

이름 및 식별자

우선 이름: Methyl 6-(bromomethyl)pyridine-2-carboxylate
IUPAC: methyl 6-(bromomethyl)pyridine-2-carboxylate
현지명: 2-브로모메틸-6-피리딘카르복실산메틸에스테르
영어명: 2-Bromomethyl-6-pyridine carboxylic acid methyl ester
분자식: C8H8BrNO2
분자량: 230.06

이름 및 동의어

146462-25-1METHYL 6-(BROMOMETHYL)PYRIDINE-2-CARBOXYLATEDTXSID90614357RefChem:356225DTXCID30565112967-904-3Methyl 6-(bromomethyl)picolinate2-Bromomethyl-6-pyridine carboxylic acid methyl esterMFCD032653682-Pyridinecarboxylic acid, 6-(bromomethyl)-, methyl estermethyl 6-(bromomethyl)-2-pyridinecarboxylateMethyl 2-bromomethyl-6-pyridinecarboxylate

이름 더 보기

2-브로모메틸-6-피리딘카르복실산메틸에스테르Benzeneethanamine,7-chloro-α-methyl-2-bromomethylpyridine-6-carboxylic acid methyl ester2-BROMOMETHYL-6-PYRIDINE CARBOXYLIC ACID ETHYL ESTER2-(5-FLUORO-2-HYDROXYPHENYL)-2-(1-OXOISOINDOLIN-7-YL)ACETICACID

Methyl6-(bromomethyl)picolinateSCHEMBL1181244SCHEMBL29810272methyl-6-(bromomethyl)picolinateGLLACFRFEBEMED-UHFFFAOYSA-NMFCD032653AC-181AKOS008901281

데이터베이스 식별자

CAS: 146462-25-1
PubChem CID: 21471714
DTXSID: DTXSID90614357
EC Number: 967-904-3
Nikkaji: J2.997.983I

물성

구조 계산 물성

XLogP: 1.6
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: 0 °C · 0°C
끓는 점: 0 °C · 0°C
밀도: 1.533 · 1.533±0.06 g/cm3(Predicted)
인화점: 0 °C · 0°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 0.53 · 0.53±0.10(Predicted)
InChI: InChI=1S/C8H8BrNO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3
InChIKey: GLLACFRFEBEMED-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(CBr)=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.