4-브로모-1-에틸-1H-피라졸

4-Bromo-1-ethyl-1H-pyrazole

HCID 12565201

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71229-85-1
표준 SMILES: CCn1cc(Br)cn1
InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
분자식: C5H7BrN2
평균 분자량: 175.03 g/mol
단동위원소 질량: 173.97926

이름 및 식별자

우선 이름: 4-Bromo-1-ethyl-1H-pyrazole
IUPAC: 4-bromo-1-ethylpyrazole
현지명: 4-브로모-1-에틸-1H-피라졸
영어명: 4-Bromo-1-ethyl-1H-pyrazole
분자식: C5H7BrN2
분자량: 175.03

이름 및 동의어

4-bromo-1-ethyl-1H-pyrazole71229-85-1DTXSID10502742RefChem:290477DTXCID00453552690-424-84-bromo-1-ethylpyrazole1H-Pyrazole, 4-bromo-1-ethyl-MFCD082352521H-Pyrazole,4-bromo-1-ethyl-AKOS000302004CS-W003481

이름 더 보기

4-브로모-1-에틸-1H-피라졸Albb-0044311-ethyl-4-bromoimazole-Bromo-1-ethylpyrazole4-Bromo-1-ethyl-1H-pyrazole 95+%4-bromo-1-ethyl-1H-pyrazole(SALTDATA: FREE)

AB43826AS-19722EN300-55896F8882-40604-Bromo-1-ethyl(d5)-1H-pyrazole4-bromo-1-etA9342AM20100672

데이터베이스 식별자

CAS: 71229-85-1
PubChem CID: 12565201
DTXSID: DTXSID10502742
EC Number: 690-424-8

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 76

물리화학적 성질

끓는 점: 108 °C/20mmHg · 108°C/20mmHg(lit.)
밀도: 1.57 · 1.57±0.1 g/cm3(Predicted)
굴절률: 1.517 to · 1.5170 to 1.5210
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): 0.23 · 0.23±0.10(Predicted)
색상: Light orange to Yellow to Green
InChI: InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChIKey: IPMSARLBJARXSC-UHFFFAOYSA-N
SMILES: N1(CC)C=C(Br)C=N1

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 (50%): 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 2 reports by companies from 2 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.