3-브로모-5-메틸피리딘-2-카르복실산

3-Bromo-5-methylpyridine-2-carboxylic acid

HCID 53395582

기본 정보

CAS
1211515-68-2
표준 SMILES
Cc1cnc(C(=O)O)c(Br)c1
InChIKey
BAFGEDISONEYIX-UHFFFAOYSA-N
분자식
C7H6BrNO2
평균 분자량
216.03 g/mol
단동위원소 질량
214.95819053

이름 및 식별자

우선 이름
3-Bromo-5-methylpyridine-2-carboxylic acid
IUPAC
3-bromo-5-methylpyridine-2-carboxylic acid
현지명
3-브로모-5-메틸피리딘-2-카르복실산
영어명
3-Bromo-5-methylpyridine-2-carboxylic acid
분자식
C7H6BrNO2
분자량
216.03

이름 및 동의어

1211515-68-23-Bromo-5-methylpyridine-2-carboxylic acidDTXSID50694175RefChem:277614DTXCID60644924695-972-13-Bromo-5-methylpicolinic acidMFCD172142063-Bromo-5-methylpicolinicacidSCHEMBL14555730FS-3419SY031478
이름 더 보기
3-브로모-5-메틸피리딘-2-카르복실산3-Bromo-5-methylpicolinicaci3-broMo-5-Methylpyridin-2-carboxylic acid2-Pyridinecarboxylic acid, 3-bromo-5-methyl-3-Bromo-5-methylpyridine-2-carboxylic acid 97%3-Bromo-5-methylpicolinic acid, 3-Bromo-2-carboxy-5-methylpyridine
EN300-1899903-Bromo-5-methyl-2-pyridinecarboxylic acidAMY28494FT-0763122A891930SCHEMBL31555015AKOS015920270DA-19266

데이터베이스 식별자

CAS
1211515-68-2
PubChem CID
53395582
DTXSID
DTXSID50694175
EC Number
695-972-1

물성

구조 계산 물성

XLogP
1.8
극성 표면적
50.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태
고체
색상
하얀색
InChI
InChI=1S/C7H6BrNO2/c1-4-2-5(8)6(7(10)11)9-3-4/h2-3H,1H3,(H,10,11)
InChIKey
BAFGEDISONEYIX-UHFFFAOYSA-N
SMILES
C1(C(O)=O)=NC=C(C)C=C1Br

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, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

ridadr
UN2811
HS 번호
2933399990

화학 및 산업

응용 분야 · 1건

개요3-Bromo-5-methylpyridine-2-carboxylic acid is an organic compound with the molecular formula C7H6BrNO2. It is a derivative of pyridine, a primary heterocyclic organic compound. This compound is characterized by a bromine atom at the third position, a methyl group at the fifth position, and a carboxylic acid group at the second position of the pyridine ring. 3-Bromo-5-methylpyridine-2-carboxylic acid can be synthesized through several methods. One common method involves the bromination of 5-methylpyridine-2-carboxylic acid using a brominating agent such as N-bromosuccinimide (NBS) in the presence of a catalyst like azobisisobutyronitrile (AIBN). The reaction typically occurs in an organic solvent such as dichloromethane at a controlled temperature.

공급사68 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]

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2건

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