CAS 1192-21-8 2-Methyl-2H-pyrazol-3-ylamine (HCID 136927)

名称と識別子

優先名称: 2-Methyl-2H-pyrazol-3-ylamine
IUPAC: 2-methylpyrazol-3-amine
現地名: 1-メチル-5-アミノ-1H-ピラゾール
英語名: 1-Methyl-1H-pyrazol-5-ylamine
分子式: C4H7N3
分子量: 97.12

名称と別名

2-Methyl-2H-pyrazol-3-ylamineRefChem:475262688-112-11192-21-81-methyl-1H-pyrazol-5-amine1-methyl-1h-pyrazol-5-ylamine5-Amino-1-methylpyrazole1-Methyl-5-aminopyrazole2-methylpyrazol-3-amine1H-Pyrazol-5-amine, 1-methyl-5-amino-1-methyl-1h-pyrazoleMFCD00068156

名称をさらに表示

5-アミノ-1-メチル-1H-ピラゾール2-メチル-2H-ピラゾール-3-アミン1-メチル-5-アミノ-1H-ピラゾール1-メチル-1H-ピラゾール-5-アミン1-メチル-1H-ピラゾール-5-イルアミン1‐メチル‐1H‐ピラゾール‐5‐イルアミン2-メチル-2H-ピラゾール-3-イルアミン5-アミノ-1-メチルピラゾール-5-amineNSC 76510AKOS B024266AKOS PAO-0256BUTTPARK 18\09-58ART-CHEM-BB B024266

1-methylpyrazole-5-ylamineNSC765101-Methylpyrazol-5-amine3-amino-2-methylpyrazole1-methyl-5-amino-pyrazole2-methyl pyrazole-3-amine5-amino-1-methyl-pyrazolemethyl-1H-pyrazol-5-amine

データベース識別子

CAS: 1192-21-8
PubChem CID: 136927
DTXSID: DTXSID80152334
EC Number: 688-112-1
Nikkaji: J271.172I

物性

構造計算による物性

XLogP: -0.1
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 64

物理化学的性質

融点: 73 °C · 73 °C
沸点: 95 · 95-96°C (0.5 mmHg)
比重(密度): 1.22 · 1.22±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
溶解性: クロロホルム（微量）、DMSO（微量）、酢酸エチル（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 4.16 · 4.16±0.10(Predicted)
色: ダークレッドからオレンジ、ブラウン
InChI: InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
InChIKey: JESRNIJXVIFVOV-UHFFFAOYSA-N
SMILES: N1(C)C(N)=CC=N1
CAS データベース: 1192 · 1192-21-8(CAS DataBase Reference)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (84.4%): Toxic if swallowed [Danger Acute toxicity, oral]；H312+H332 (84.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]；H312 (93.3%): 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 (93.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 45 reports by companies from 5 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (84.4%)；Acute Tox. 4 (93.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (93.3%)；STOT SE 3 (95.6%)