4-(2H-テトラゾール-2-イル)ベンゼンアミン

4-(2H-1,2,3,4-tetrazol-2-yl)aniline

HCID 571639

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 52708-35-7
標準SMILES: Nc1ccc(-n2ncnn2)cc1
InChIKey: HELCKJWIYMGRIB-UHFFFAOYSA-N
分子式: C7H7N5
平均分子量: 161.16 g/mol
単同位体質量: 161.07014524

名称と識別子

優先名称: 4-(2H-1,2,3,4-tetrazol-2-yl)aniline
IUPAC: 4-(tetrazol-2-yl)aniline
現地名: 4-(2H-テトラゾール-2-イル)ベンゼンアミン
英語名: 4-(2H-Tetrazol-2-yl)benzenamine
分子式: C7H7N5
分子量: 161.16

名称と別名

4-(2H-1,2,3,4-Tetrazol-2-yl)anilineRefChem:512799878-052-652708-35-74-(tetrazol-2-yl)aniline4-(2H-tetrazol-2-yl)anilineBenzenamine, 4-(2H-tetrazol-2-yl)-4-(2H-tetrazol-2-yl)benzenamineMFCD159763764-(1,2,3,4-tetraazol-2-yl)phenylamine2-(4-aminophenyl)tetrazole4-tetrazol-2-yl-phenylamine

名称をさらに表示

4-(2H-テトラゾール-2-イル)ベンゼンアミン4-(2H-1,2,3,4-テトラゾール-2-イル)アニリン

SCHEMBL1186753DTXSID403412474-(2H-Tetraazol-2-yl)aniline #CCA70835SBB073321STL412449AKOS005169201DA-05186

データベース識別子

CAS: 52708-35-7
PubChem CID: 571639
DTXSID: DTXSID40341247
EC Number: 878-052-6
Nikkaji: J127.263B

物性

構造計算による物性

XLogP: 1.1
極性表面積: 69.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 143

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.