5-Bromo-2-chloro-4-methylpyridine

HCID 2734427CAS 778611-64-6

기본 정보

표준 SMILES: Cc1cc(Cl)ncc1Br
InChIKey: ISESOOISZHSENQ-UHFFFAOYSA-N
분자식: C6H5BrClN
평균 분자량: 206.47 g/mol
단동위원소 질량: 204.92938894

이름 및 식별자

우선 이름: 5-Bromo-2-chloro-4-methylpyridine
IUPAC: 5-bromo-2-chloro-4-methylpyridine
영어명: 5-Bromo-2-chloro-4-picoline
분자식: C6H5BrClN
분자량: 206.47

이름 및 동의어

5-BROMO-2-CHLORO-4-METHYLPYRIDINE778611-64-6DTXSID50370306RefChem:301613DTXCID40321342689-064-45-Bromo-2-chloro-4-picolineMFCD034276635-bromo-2-chloro-4-methyl-pyridinePyridine, 5-bromo-2-chloro-4-methyl-2-CHLORO-5-BROMO-4-PICOLINE2-Chloro-5-bromo-4-methylpyridine

이름 더 보기

2-Bromo-7-methylpyridine5-BROMO-2-CHLORO-4-PICOLIN2-CHLORO-4-METHYL-5-BROMOPYRIDINE5-Bromo-2-chloro-4-picoline, 98+%2-Cholor-5-bromo-4-methyl pyridine5-Bromo-2-chloro-4-methylpyridine>

orb2940270SCHEMBL1007219ISESOOISZHSENQ-UHFFFAOYSA-NTYD-00308AKOS005145679AB15095AC-7004CS-W015300

데이터베이스 식별자

CAS: 778611-64-6
PubChem CID: 2734427
DTXSID: DTXSID50370306
EC Number: 689-064-4

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: 99.1

물리화학적 성질

녹는점: 25 · 25-30 °C
끓는 점: 239 ℃ · 239℃
밀도: 1.624 · 1.624
굴절률: 1.54 · 1.5400 (estimate)
인화점: 99 ℃ · 99℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): -1.45 · -1.45±0.10(Predicted)
색상: White or Colorless to Light yellow
InChI: InChI=1S/C6H5BrClN/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3
InChIKey: ISESOOISZHSENQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Br)C(C)=C1

화학적 성질

Clear pale yellow low melting solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.