CAS 67478-50-6 1-(triphenylmethyl)-1H-imidazole-2-carbaldehyde (HCID 618253)

基本情報

CAS: 67478-50-6
標準SMILES: O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: QYVILFCVZUELEG-UHFFFAOYSA-N
分子式: C23H18N2O
平均分子量: 338.4 g/mol
単同位体質量: 338.1419132

名称と識別子

優先名称: 1-(triphenylmethyl)-1H-imidazole-2-carbaldehyde
IUPAC: 1-tritylimidazole-2-carbaldehyde
現地名: 1-トリチル-1H-イミダゾール-2-カルブアルデヒド
英語名: 1-Tritylimidazole-2-carboxaldehyde
分子式: C23H18N2O
分子量: 338.4

名称と別名

1-(triphenylmethyl)-1H-imidazole-2-carbaldehydeRefChem:428857690-451-567478-50-61-Trityl-1H-imidazole-2-carbaldehyde1-tritylimidazole-2-carbaldehyde1-TRITYLIMIDAZOLE-2-CARBOXALDEHYDE2-FORMYL-1-TRITYL-1H-IMIDAZOLEMFCD034531101-Trityl-1H-imidazole-2-carboxaldehydeSCHEMBL5846851-(triphenylmethyl)imidazole-2-carbaldehyde

名称をさらに表示

1-トリチル-1H-イミダゾール-2-カルブアルデヒド1-トリチル-1H-イミダゾール-2-カルボキシアルデヒド1-トリチルイミダゾール-2-カルボキシアルデヒドZinc04244880Medetomidine Impurity 391-TRITYL IMIDAZOLE-2-ALDEHYDE1-Tritylimidazole-2-carboxaldehyde95%1-TRITYLIMIDAZOLE-2-CARBOXALDEHYDE 95%

1H-Imidazole-2-carboxaldehyde, 1-(triphenylmethyl)-SCHEMBL1735233SCHEMBL5796596SCHEMBL9236142DTXSID60347140N-tritylimidazole-2-carboxaldehyde2-FORMYL-1-TRITYLIMIDAZOLESCA47850

データベース識別子

CAS: 67478-50-6
PubChem CID: 618253
DTXSID: DTXSID60347140
EC Number: 690-451-5

物性

構造計算による物性

XLogP: 4.6
極性表面積: 34.9 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 5
重原子数: 26
形式電荷: 0
複雑度: 402

物理化学的性質

融点: 190 · 190-193
沸点: 547 · 547.0±60.0 °C(Predicted)
比重(密度): 1.1 · 1.10±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 3.31 · 3.31±0.31(Predicted)
色: off white
InChI: InChI=1S/C23H18N2O/c26-18-22-24-16-17-25(22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKey: QYVILFCVZUELEG-UHFFFAOYSA-N
SMILES: C1(C=O)N(C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CN=1

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 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.