3-아미노-4-브로모-2-메틸피라졸

4-Bromo-1-methyl-1H-pyrazol-5-amine

HCID 600351CAS 105675-85-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ncc(Br)c1N
InChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-N
분자식: C4H6BrN3
평균 분자량: 176.01 g/mol
단동위원소 질량: 174.97451

이름 및 식별자

우선 이름: 4-Bromo-1-methyl-1H-pyrazol-5-amine
IUPAC: 4-bromo-1-methylpyrazol-5-amine
현지명: 3-아미노-4-브로모-2-메틸피라졸
영어명: 3-AMINO-4-BROMO-2-METHYLPYRAZOLE
분자식: C4H6BrN3
분자량: 176.01

이름 및 동의어

4-Bromo-1-methyl-1H-pyrazol-5-amine105675-85-25-Amino-4-bromo-1-methyl-1H-pyrazoleDTXSID00344911RefChem:519000DTXCID70295986639-398-13-Amino-4-bromo-2-methylpyrazole4-bromo-2-methylpyrazol-3-amineMFCD000681571H-Pyrazol-5-amine, 4-bromo-1-methyl-5-amino-4-bromo-1-methylpyrazole

이름 더 보기

3-아미노-4-브로모-2-메틸피라졸BUTTPARK 24\09-524-bromo-2-methyl-3-pyrazolamine1H-Pyrazol-5-amine,4-bromo-1-methyl-4-Bromo-1-methyl-1H-pyrrazole-5-amine

4-bromo-2-methyl-2,3-dihydro-1H-pyrazol-3-imineA1IHU1955553-75-94-bromo-1-methylpyrazole-5-ylamine4-Bromo-2-methyl-2H-pyrazol-3-ylamine1H-Pyrazol-5-amine,4-SCHEMBL13584073-amino-4-bromo-2-methylpyrazol

데이터베이스 식별자

CAS: 105675-85-2
PubChem CID: 600351
DTXSID: DTXSID00344911
EC Number: 639-398-1

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 87

물리화학적 성질

녹는점: 104 °C · 104 °C
끓는 점: 275 ℃ · 275℃
밀도: 1.91 · 1.91
인화점: 120 ℃ · 120℃
저장 조건: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
용해도: 아세토니트릴(약간), DMSO(약간)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 2.12 · 2.12±0.10(Predicted)
색상: 갈색
BRN: 7579192 · 7579192
InChI: InChI=1S/C4H6BrN3/c1-8-4(6)3(5)2-7-8/h2H,6H2,1H3
InChIKey: ODFDZOQJRPDQDF-UHFFFAOYSA-N
SMILES: N1(C)C(N)=C(Br)C=N1

화학적 성질

Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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.