3-Bromo-2-hydroxy-5-methylpyridine

HCID 3725261

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17282-02-9
표준 SMILES: Cc1c[nH]c(=O)c(Br)c1
InChIKey: KHBRMXVUQOVORD-UHFFFAOYSA-N
분자식: C6H6BrNO
평균 분자량: 188.02 g/mol
단동위원소 질량: 186.96328

이름 및 식별자

우선 이름: 3-Bromo-2-hydroxy-5-methylpyridine
IUPAC: 3-bromo-5-methyl-1H-pyridin-2-one
영어명: 3-BROMO-2-HYDROXY-5-METHYLPYRIDINE
분자식: C6H6BrNO
분자량: 188.02

이름 및 동의어

17282-02-93-Bromo-2-hydroxy-5-methylpyridineDTXSID00395569RefChem:277321DTXCID30346428623-885-03-bromo-5-methylpyridin-2-ol3-Bromo-5-methylpyridin-2(1H)-one3-bromo-5-methyl-1H-pyridin-2-oneMFCD037913123-BROMO-5-METHYL-2(1H)-PYRIDINONE3-Bromo-5-methyl-2-pyridinol

이름 더 보기

3-Bromo-2-hydroxy-5-picolineTIMTEC-BB SBB0036795-Bromo-2-hydroxy-3-picoline2-HYDROXY-3-BROMO-5-PICOLINE3-bromo-5-methyl-2(1H)-pyridone3-Bromo-5-methyl-2-pyridone >3-BROMO-5-METHYL-2(1H)-PYRIDINONE

AKOS015891790AB16221FS-3429SY0191763-Bromo-2-hydroxy-5-methylpyridine, 97%3-Bromo-5-methyl-pyridin-2-ol2(1H)-Pyridinone, 3-bromo-5-methyl-3-Bromo-5-methyl-2-pyridone

데이터베이스 식별자

CAS: 17282-02-9
PubChem CID: 3725261
DTXSID: DTXSID00395569
EC Number: 623-885-0
Nikkaji: J3.151.646C

물성

구조 계산 물성

XLogP: 1
극성 표면적: 29.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 78 · 78-82 °C (lit.)
끓는 점: 324 · 324.0±42.0 °C(Predicted)
밀도: 1.622 · 1.622±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 10.95 · 10.95±0.10(Predicted)
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 1423374 · 1423374
InChI: 1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKey: KHBRMXVUQOVORD-UHFFFAOYSA-N
SMILES: Cc1cnc(O)c(Br)c1

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.