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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 163
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
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
안전 데이터
- ridadr
- UN2811
- HS 번호
- 2933399990
화학 및 산업
응용 분야
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.
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