3-Bromo-5-methylpyridine

HCID 817713

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3430-16-8
표준 SMILES: Cc1cncc(Br)c1
InChIKey: ADCLTLQMVAEBLB-UHFFFAOYSA-N
분자식: C6H6BrN
평균 분자량: 172.02 g/mol
단동위원소 질량: 170.96836129

이름 및 식별자

우선 이름: 3-Bromo-5-methylpyridine
IUPAC: 3-bromo-5-methylpyridine
영어명: 3-Bromo-5-methylpyridine
분자식: C6H6BrN
분자량: 172.02

이름 및 동의어

3-bromo-5-methylpyridine3430-16-8DTXSID40355844RefChem:93210DTXCID50306903630-960-15-Bromo-3-picoline3-bromo-5-picoline3-bromo-5-methyl-pyridinePYRIDINE, 3-BROMO-5-METHYL-MFCD016461413-methyl-5-bromopyridine

이름 더 보기

3-brmo-5-me3-Bromo-5-methyL3-BROMO-5-METHYLPY...3-brmo-5-methylpyridine3-methy-5-bromopyridine3-Bromo-5-methylpyridine >

5-bromo-3-methylpyridine5-Bromo-3-picolin3-bromo-5-picoline?SCHEMBL315970SCHEMBL750048SCHEMBL1036274SCHEMBL1153503SCHEMBL1310751

데이터베이스 식별자

CAS: 3430-16-8
PubChem CID: 817713
DTXSID: DTXSID40355844
EC Number: 630-960-1
Nikkaji: J1.921.284J

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

물리화학적 성질

녹는점: 16.5 · 16.5-16.7 °C
끓는 점: 110 °C/25mmHg · 110°C/25mmHg(lit.)
밀도: 1.4869 g/mL · 1.4869 g/mL at 25 °C
굴절률: 1.5618 · 1.5618
인화점: 91 °C · 91 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 3.16 · 3.16±0.20(Predicted)
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Almost white or Almost colorless
InChI: 1S/C6H6BrN/c1-5-2-6(7)4-8-3-5/h2-4H,1H3
InChIKey: ADCLTLQMVAEBLB-UHFFFAOYSA-N
SMILES: Cc1cncc(Br)c1

화학적 성질

Light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
ridadr: NA 1993 / PGIII
HS 번호: 2933399990
risk_code: 36/37/38-41-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도5-Bromo-3-picoline is an intermediate of pyridinyl pyrrole compounds as proton pump inhibitors with improved gastric acid secretion suppressive activity