2-Bromo-5-iodo-3-methylpyridine

HCID 10108680CAS 65550-78-9

기본 정보

표준 SMILES: Cc1cc(I)cnc1Br
InChIKey: WJPSANINUBHCFE-UHFFFAOYSA-N
분자식: C6H5BrIN
평균 분자량: 297.92 g/mol
단동위원소 질량: 296.86500926

이름 및 식별자

우선 이름: 2-Bromo-5-iodo-3-methylpyridine
IUPAC: 2-bromo-5-iodo-3-methylpyridine
영어명: 2-Bromo-5-iodo-3-methylpyridine
분자식: C6H5BrIN
분자량: 297.92

이름 및 동의어

2-Bromo-5-iodo-3-methylpyridine65550-78-9DTXSID40435791RefChem:257359DTXCID80386617678-919-72-Bromo-5-iodo-3-picolineMFCD090374662-bromo-5-iodo-3-methyl-pyridinePyridine, 2-bromo-5-iodo-3-methyl-SCHEMBL1929811AKOS015891658

이름 더 보기

2-Bromo-5-iodo-3-methylpyridne2-Bromo-3-methyl-5-iodopyridine2-Bromo-5-iodo-3-methylpyridine >2-Bromo-5-iodo-3-methylpyridine 98%2-BROMO-5-IODO-3-METHYLPYRIDINE ISO 9001：2015 REACH

SY041758B4312CS-01531752-Bromo-5-iSCHEMBL30938606DS-11870DB-082200I10151

데이터베이스 식별자

CAS: 65550-78-9
PubChem CID: 10108680
DTXSID: DTXSID40435791
EC Number: 678-919-7

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: 43 · 43-46°C
끓는 점: 298 ℃ · 298℃
밀도: 2.171 · 2.171
인화점: 134 ℃ · 134℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -0.94 · -0.94±0.20(Predicted)
색상: White to Orange to Green

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.