4-ブロモ-1-トリチル-1H-イミダゾール臭化物

4-Bromo-1-trityl-1H-imidazole

HCID 2773274

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 87941-55-7
標準SMILES: Brc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYSA-N
分子式: C22H17BrN2
平均分子量: 389.3 g/mol
単同位体質量: 388.05751

名称と識別子

優先名称: 4-Bromo-1-trityl-1H-imidazole
IUPAC: 4-bromo-1-tritylimidazole
現地名: 4-ブロモ-1-トリチル-1H-イミダゾール臭化物
英語名: 4-BROMO-1-TRITYL-1H-IMIDAZOLE
分子式: C22H17BrN2
分子量: 389.29

名称と別名

4-Bromo-1-trityl-1H-imidazole87941-55-7DTXSID10378328RefChem:290533DTXCID10329355689-710-54-bromo-1-tritylimidazole4-bromo-1-(triphenylmethyl)-1H-imidazoleMFCD001856574-Bromo-1-trityl-1H-imidazole; 4-Bromo-1-tritylimidazole4-Bromo-1-trityl-1H-imidazde1H-Imidazole, 4-bromo-1-(triphenylmethyl)-

名称をさらに表示

4-ブロモ-1-トリチル-1H-イミダゾール臭化物4-ブロモ-1-トリチル-1H-イミダゾール1-トリチル-4-ブロモ-1H-イミダゾール4-ブロモ-1-(トリフェニルメチル)-1H-イミダゾール1-Trityl-4-BroMo IMidazole4-Bromo-1-[tris(phenyl)methyl]-1H-imidazole4-bromo-1-[2-(diphenylmethyl)phenyl]imidazole

4-Bromo-1-trityl-imidazoleSCHEMBL1982002BSQFJBYJUQJNMZ-UHFFFAOYSA-N4-bromo-1-triphenylmethyl-imidazoleALBB-034634CS-M3677AKOS007930519AB04448

データベース識別子

CAS: 87941-55-7
PubChem CID: 2773274
DTXSID: DTXSID10378328
EC Number: 689-710-5
Nikkaji: J3.078.088D

物性

構造計算による物性

XLogP: 5.8
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: 4
重原子数: 25
形式電荷: 0
複雑度: 363

物理化学的性質

融点: 248 · 248-250 °C(Solv: ethanol (64-17-5))
沸点: 492.5 · 492.5±40.0 °C(Predicted)
比重(密度): 1.27 · 1.27±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 3.6 · 3.60±0.61(Predicted)
InChI: InChI=1S/C22H17BrN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey: BSQFJBYJUQJNMZ-UHFFFAOYSA-N
SMILES: C1N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=C(Br)N=1
CAS データベース: 87941 · 87941-55-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.；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.