Aminotetrazole

HCID 20467CAS 4418-61-5

基本情報

標準SMILES: Nc1nn[nH]n1
InChIKey: ULRPISSMEBPJLN-UHFFFAOYSA-N
分子式: CH3N5
平均分子量: 85.07 g/mol
単同位体質量: 85.0388451

名称と識別子

優先名称: Aminotetrazole
IUPAC: 2H-tetrazol-5-amine
英語名: 5-AMINO-1H-TETRAZOLE
分子式: CH3N5
分子量: 85.07

名称と別名

5-Aminotetrazole4418-61-55-AMINO-1H-TETRAZOLEAminotetrazoleTetrazol-5-ylamine1H-Tetrazole, 5-amino-5-Amino tetrazoleNSC-300428JR5LD42TDTXSID7052103RefChem:532063DTXCID9030670

名称をさらに表示

AURORA KA-65771-Aminotetrazole1H-Tetrazol-1-amine5-Amino Tetrazole anhydrous

224-581-71H-Tetrazol-5-amine2H-Tetrazol-5-amine5-Amino-1,2,3,4-tetrazole5378-49-41H-1,2,3,4-TETRAZOL-5-AMINENSC 30045-amino-tetrazole

データベース識別子

CAS: 4418-61-5、5378-49-4
PubChem CID: 20467
DTXSID: DTXSID7052103
ChEMBL: CHEMBL4469714
UNII: 28JR5LD42T
EC Number: 224-581-7、695-660-5
Nikkaji: J3.323.935A、J3.323.936J、J3.323.937H、J39.093C

物性

構造計算による物性

XLogP: -0.9
極性表面積: 80.5 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 43.2

実験および物理化学的性質

Physical DescriptionCBI

物理化学的性質

融点: 201 · 201-205 °C(lit.)
沸点: 273 ℃ · 273℃
比重(密度): 2.06 · 2.06
屈折率: 2.105 · 2.1050 (estimate)
闪点: 119 ℃ · 119℃
酸解離定数(Pka): 1.73 · 1.73±0.10(Predicted)
CAS データベース: 5378 · 5378-49-4(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.5% (1 of 205) of reports.

Danger

H302 (26.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 205 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 2 件

2H-Tetrazol-5-amine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Tetrazol-5-amine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 31-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25457

Hazard Classes and Categories · 2 件

Acute Tox. 4 (26.3%)

Skin Irrit. 2 (100%)