1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)

HCID 21904571CAS 20055-01-0

基本情報

標準SMILES: Cn1ncc(N)c1N.O=S(=O)(O)O
InChIKey: CIMLJTZGZLWBJY-UHFFFAOYSA-N
分子式: C4H10N4O4S
平均分子量: 210.21 g/mol
単同位体質量: 210.04227599

名称と識別子

優先名称: 1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
IUPAC: 1-methylpyrazole-4,5-diamine;sulfuric acid
英語名: 3,4-DiaMino-2-Methylpyrazole sulfate, 95%
分子式: C4H10N4O4S
分子量: 210.2116

名称と別名

20055-01-0RefChem:4389431H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)836-860-61-Methyl-1H-pyrazole-4,5-diamine sulfate2-methylpyrazole-3,4-diamine;sulfuric acidMFCD280993304,5-diamino-1-methylpyrazole sulfate1H-Pyrazole-4,5-diamine, 1-methyl-, sulfate (1:1)1-Methyl-1H-pyrazole-45-diamine sulfate1-methyl-1H-pyrazole-4,5-diamine; sulfuric acid4,5-Diamino-1-methylpyrazole Sulfate; 4,5-Diamino-1-methylpyrazole Hydrosulfate

名称をさらに表示

2-methylpyrazole-3,4-diamine1-Methyl-1H-pyrazole-4,5-diamine sulphate3,4-DiaMino-2-Methylpyrazole sulfate, 95%1-Methyl-1H-pyrazole-4,5-diaminesulphate97%1-Methyl-1H-pyrazole-4,5-diamine sulphate 97%

1H-Pyrazole-4,5-diamine, 1-methyl-, sulfate1H-Pyrazole-4,5-diamine,SCHEMBL2912223AKOS024258870DS-86541-Methyl-1H-pyrazole-4,5-diaminesulfateDA-219992-methylpyrazole-3,4-diamine; sulfuric acid

データベース識別子

CAS: 20055-01-0
PubChem CID: 21904571
EC Number: 836-860-6

物性

構造計算による物性

極性表面積: 153 Å²
水素結合供与体数: 4
水素結合受容体数: 7
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 165

物理化学的性質

融点: 198.5 °C · >198.5°C (dec.)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: DMSO（微量）、メタノール（微量、加温）
外見: 個体
色: オフホワイトからペールベージュ
安定性: 吸湿性
CAS データベース: 20055 · 20055-01-0

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.