(4-broMo-1-메틸-1H-피라졸-5-일)메탄올

(4-bromo-1-methyl-1H-pyrazol-5-yl)methanol

HCID 57415773CAS 1276056-83-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ncc(Br)c1CO
InChIKey: YLTQBUUGYXTAHV-UHFFFAOYSA-N
분자식: C5H7BrN2O
평균 분자량: 191.03 g/mol
단동위원소 질량: 189.97417494

이름 및 식별자

우선 이름: (4-bromo-1-methyl-1H-pyrazol-5-yl)methanol
IUPAC: (4-bromo-1-methylpyrazol-5-yl)methanol
현지명: (4-broMo-1-메틸-1H-피라졸-5-일)메탄올
영어명: (4-broMo-1-Methyl-1H-pyrazol-5-yl)Methanol
분자식: C5H7BrN2O
분자량: 191.03

이름 및 동의어

(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)METHANOL1276056-83-7DTXSID60725500RefChem:402448DTXCID60676245828-861-5(4-bromo-2-methylpyrazol-3-yl)methanolMFCD18793417(4-Bromo-2-methyl-pyrazol-3-yl)methanol4-Bromo-1-methyl-1H-pyrazole-5-methanol(4-bromo-1-methylpyrazol-5-yl)methan-1-olSCHEMBL15229815

이름 더 보기

(4-broMo-1-메틸-1H-피라졸-5-일)메탄올1H-Pyrazole-5-methanol, 4-bromo-1-methyl-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-methanol(4-Bromo-1-methyl-1h-pyrazol-5-yl)methanol - [B89725]

YLTQBUUGYXTAHV-UHFFFAOYSA-NBBC05683SBB073829STL415100AKOS015920724AB87814AT14439(4-Bromo-1-methyl-5-pyrazolyl)methanol

데이터베이스 식별자

CAS: 1276056-83-7
PubChem CID: 57415773
DTXSID: DTXSID60725500
EC Number: 828-861-5

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 101

물리화학적 성질

저장 조건: Store at room temperature

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.