2-Bromo-isonicotinic acid methyl ester

HCID 3847768CAS 26156-48-9

기본 정보

표준 SMILES: COC(=O)c1ccnc(Br)c1
InChIKey: MULLTHQTADMZDM-UHFFFAOYSA-N
분자식: C7H6BrNO2
평균 분자량: 216.03 g/mol
단동위원소 질량: 214.95819053

이름 및 식별자

우선 이름: 2-Bromo-isonicotinic acid methyl ester
IUPAC: methyl 2-bromopyridine-4-carboxylate
영어명: 2-Bromo-isonicotinic acid methyl ester
분자식: C7H6BrNO2
분자량: 216.03

이름 및 동의어

2-Bromo-isonicotinic acid methyl esterRefChem:467118626-474-4methyl 2-bromoisonicotinate26156-48-9Methyl 2-bromopyridine-4-carboxylateMFCD037912652-Bromoisonicotinic acid methyl ester4-PYRIDINECARBOXYLIC ACID, 2-BROMO-, METHYL ESTERSCHEMBL46685PS-6226AC-24953

이름 더 보기

2-BROMO-4-METHYL PICOLINATERARECHEM AL BF 15242-Bromopyridine -4-carboxyliMethyl2-Bromoisonicotinate>Methyl 2-bromoisonicotinate 98%2-Bromopyridine-4-Picolinic acid methyl ester

2-Bromo-4-pyridine carboxylic acid methyl estermethyl-2-bromoisonicotinateMETHYL 2-BROMO-4-PYRIDINECARBOXYLATEFT-0600146methyl-2-bromo-isonicotinateMethyl 2-Bromopyridine-4-c2-BROMOPYRIDINE-4-CARBOXYLIC ACID METHYL ESTERSCHEMBL29584593

데이터베이스 식별자

CAS: 26156-48-9
PubChem CID: 3847768
DTXSID: DTXSID00397265
EC Number: 626-474-4
Nikkaji: J149.526G

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: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 35 · 35-36
끓는 점: 268 · 268.0±20.0 °C(Predicted)
밀도: 1.579 · 1.579±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -1.32 · -1.32±0.10(Predicted)
색상: 흰색에서 밝은 노란색
BRN: 128656 · 128656
InChI: 1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
InChIKey: MULLTHQTADMZDM-UHFFFAOYSA-N
SMILES: COC(=O)c1ccnc(Br)c1

화학적 성질

Colorless liquid or solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 42 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Bromopyridine-4-carboxylic acid methyl ester is a kind of important medicine intermediate, used as initiator during the synthesis of polymer brushes with single-walled carbon nanotubes as backbones.