4-ブロモ-1,2-ジメチル-1H-イミダゾール

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

HCID 7204875

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 850429-59-3
標準SMILES: Cc1nc(Br)cn1C
InChIKey: FZRKTLGQQTWOMJ-UHFFFAOYSA-N
分子式: C5H7BrN2
平均分子量: 175.03 g/mol
単同位体質量: 173.97926

名称と識別子

優先名称: 4-Bromo-1,2-dimethyl-1H-imidazole
IUPAC: 4-bromo-1,2-dimethylimidazole
現地名: 4-ブロモ-1,2-ジメチル-1H-イミダゾール
英語名: 4-Bromo-1,2-dimethyl-1H-imidazole
分子式: C5H7BrN2
分子量: 175.03

名称と別名

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

名称をさらに表示

4-ブロモ-1,2-ジメチル-1H-イミダゾール1H-IMidazole,4-broMo-1,2-diMethyl-QUINO4-BROMO-1,2-DIMETHYL-1H-IMIDAZOLE

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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.6
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 86

物理化学的性質

融点: 40 · 40-44
沸点: 266.6 · 266.6±13.0℃ (760 Torr)
比重(密度): 1.58 · 1.58±0.1 g/cm3 (20 ºC 760 Torr)
闪点: 115 · 115.0±19.8℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 4.96 · 4.96±0.60(Predicted)
外見: solid
色: Light Brown
InChI: 1S/C5H7BrN2/c1-4-7-5(6)3-8(4)2/h3H,1-2H3
InChIKey: FZRKTLGQQTWOMJ-UHFFFAOYSA-N
SMILES: Cc1nc(Br)cn1C

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: WGK 3
hs_code: 2933299090
risk_code: 22
hazard_code: Xi,Xn
hazard_note: Irritant
Hazard Classifications: Acute Tox. 3 Oral
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects