4-브로모-1,2-다이메틸-1H-이미다졸

4-Bromo-1,2-dimethyl-1H-imidazole

HCID 7204875

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 850429-59-3
표준 SMILES: Cc1nc(Br)cn1C
InChIKey: FZRKTLGQQTWOMJ-UHFFFAOYSA-N
분자식: C5H7BrN2
평균 분자량: 175.03 g/mol
단동위원소 질량: 173.97926

이름 및 식별자

우선 이름: 4-Bromo-1,2-dimethyl-1H-imidazole
IUPAC: 4-bromo-1,2-dimethylimidazole
현지명: 4-브로모-1,2-다이메틸-1H-이미다졸
영어명: 4-Bromo-1,2-dimethyl-1H-imidazole
분자식: C5H7BrN2
분자량: 175.03

이름 및 동의어

4-Bromo-1,2-dimethyl-1H-imidazole850429-59-3DTXSID10428397RefChem:290420DTXCID30379231691-828-74-bromo-1,2-dimethylimidazoleMFCD066599011H-Imidazole, 4-bromo-1,2-dimethyl-SCHEMBL1044474-bromo-1,2-dimethyl-imidazoleAKOS002657980

이름 더 보기

4-브로모-1,2-다이메틸-1H-이미다졸1H-IMidazole,4-broMo-1,2-diMethyl-QUINO4-BROMO-1,2-DIMETHYL-1H-IMIDAZOLE

AB26584AS-39505AM804400SY025017CS-0038736EN300-1010754-Bromo-1,2-dimethyl-1H-imidazole, AldrichCPRF433429

데이터베이스 식별자

CAS: 850429-59-3
PubChem CID: 7204875
DTXSID: DTXSID10428397
EC Number: 691-828-7

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 86

물리화학적 성질

녹는점: 40 · 40-44
끓는 점: 266.6 · 266.6±13.0℃ (760 Torr)
밀도: 1.58 · 1.58±0.1 g/cm3 (20 ºC 760 Torr)
인화점: 115 · 115.0±19.8℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 4.96 · 4.96±0.60(Predicted)
물리적 상태: 고체
색상: 연한 갈색
InChI: 1S/C5H7BrN2/c1-4-7-5(6)3-8(4)2/h3H,1-2H3
InChIKey: FZRKTLGQQTWOMJ-UHFFFAOYSA-N
SMILES: Cc1nc(Br)cn1C

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 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933299090
risk_code: 22
hazard_code: Xi,Xn
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects