2,5-Dibromo-4-methylpyridine

HCID 2734429CAS 3430-26-0

기본 정보

표준 SMILES: Cc1cc(Br)ncc1Br
InChIKey: WWJLJUAHQHXDGM-UHFFFAOYSA-N
분자식: C6H5Br2N
평균 분자량: 250.92 g/mol
단동위원소 질량: 248.87887336

이름 및 식별자

우선 이름: 2,5-Dibromo-4-methylpyridine
IUPAC: 2,5-dibromo-4-methylpyridine
영어명: 2,5-Dibromo-4-methylpyridine
분자식: C6H5Br2N
분자량: 250.92

이름 및 동의어

2,5-Dibromo-4-methylpyridine3430-26-0DTXSID70370308RefChem:82771DTXCID00321343621-880-82,5-Dibromo-4-picolinePyridine, 2,5-dibromo-4-methyl-MFCD002349552,5-Dibromo-4-methyl-pyridine2,5-dibromo-4-methypyridineRB1048

이름 더 보기

2,3-dibromo-4-methylpyridineTIMTEC-BB SBB0031422,5-Dibromo-4-methyL3-Chloro-3-iodopyridine2,5-Dibromo-4-picoline,98%2,5-Dibromo-4-methylpyridine >2,5-Dibromo-4-methylpyridine, 97%

2,5-Dibromo-4-methylpyridine, 97%AB05276PS-7470Z1269154884AM62706A6040FT-0610274SCHEMBL151857

데이터베이스 식별자

CAS: 3430-26-0
PubChem CID: 2734429
DTXSID: DTXSID70370308
EC Number: 621-880-8
Nikkaji: J1.380.446J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 37 · 37-42 °C
끓는 점: 181.5 °C · 181.5°C (rough estimate)
밀도: 1.9318 · 1.9318 (rough estimate)
굴절률: 1.63 · 1.6300 (estimate)
인화점: 113 ° · 113°
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): -0.91 · -0.91±0.18(Predicted)
물리적 상태: 저융점 고체
색상: 연한 노란색에서 주황색까지
InChI: InChI=1S/C6H5Br2N/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKey: WWJLJUAHQHXDGM-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Br)C(C)=C1

화학적 성질

Light yellow to orange low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (89.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.