1-アジドベンゼン

Azidobenzene

HCID 69319CAS 622-37-7

部分構造検索類似構造を探す

基本情報

標準SMILES: [N-]=[N+]=Nc1ccccc1
InChIKey: CTRLRINCMYICJO-UHFFFAOYSA-N
分子式: C6H5N3
平均分子量: 119.12 g/mol
単同位体質量: 119.04834716

概要

photosensitive hydrophobic non-polar probe; photolabeling agent

名称と識別子

優先名称: Azidobenzene
IUPAC: azidobenzene
現地名: 1-アジドベンゼン
英語名: Phenyl azide
分子式: C6H5N3
分子量: 119.12

名称と別名

AzidobenzenePhenyl azidePhenylazide622-37-7Benzene, triazo-2G0EH7N6YBNSC-512574DTXSID30878870RefChem:861714DTXCID30910986210-730-3Benzene, azido-

名称をさらに表示

アジドベンゼンフェニルアザイド1-アジドベンゼンアジドベンゼン溶液フェニルアジドtriazobenzenephenylazoimidediazobenzeneimidePhenyl azide solutionAzidobenzene solutionAzidomethane solution - 0.5M solution intert-butyl methyl ether

azido-benzenePHENYL AZIDE [MI]CHEMBL3236174SCHEMBL13475909SCHEMBL13584014SCHEMBL14856540SCHEMBL19747825CTRLRINCMYICJO-UHFFFAOYSA-

データベース識別子

CAS: 622-37-7
PubChem CID: 69319
DTXSID: DTXSID30878870
ChEMBL: CHEMBL3236174
UNII: 2G0EH7N6YB
EC Number: 210-730-3
Nikkaji: J101.063H

物性

構造計算による物性

XLogP: 2.6
極性表面積: 14.4 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: 1
重原子数: 9
形式電荷: 0
複雑度: 120

実験および物理化学的性質

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP2.59

物理化学的性質

融点: -27.5 °C · -27.5°C
沸点: 212.39 °C · 212.39°C (rough estimate)
比重(密度): 1.086 · 1.0860
蒸気密度: 73.5 at · 73.5 at 22-24 mm
屈折率: 1.5589 · 1.5589
闪点: -12 °C · -12°C
貯蔵温度: -20 °C · -20°C
外見: liquid
色: 淡黄色油
BRN: 742248 · 742248
InChI: InChI=1S/C6H5N3/c7-9-8-6-4-2-1-3-5-6/h1-5H
InChIKey: CTRLRINCMYICJO-UHFFFAOYSA-N
SMILES: C1(N=[N+]=[N-])=CC=CC=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H241 (97.5%): Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P260, P264, P264+P265, P270, P280, P302+P352, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P380+P375[+P378], P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSelf-react. B (97.5%)

安全データ

wgk: 3
ridadr: UN 2398 3 / PGII
risk_code: 11-19-48/20/21/22-38
hazard_code: F,Xn
safety_code: 16
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Irrit. 2STOT RE 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用Phenylazide in greener solvent, 2-methyltetrahydrofuran (2-MeTHF).2-Methyltetrahydrofuran (2-MeTHF): A Biomass-Derived Solvent with Broad Application in Organic Chemistry

一般的な説明Azidobenzene solution can undergo click reaction with alkyne-functionalized oligomers to form O-ester-functionalized o-phenylenes, a group of aromatic foldamers with a good folding tendency in most solvents.