基本情報
- CAS
16681-77-9- 標準SMILES
Cn1cnnn1- InChIKey
OMAFFHIGWTVZOH-UHFFFAOYSA-N- 分子式
- C2H4N4
- 平均分子量
- 84.08 g/mol
- 単同位体質量
- 84.04359615
名称と識別子
- 優先名称
- 1H-Tetrazole, 1-methyl-
- IUPAC
- 1-methyltetrazole
- 現地名
- 1-メチル-1H-テトラゾール
- 英語名
- 1-Methyl-1H-tetrazole
- 分子式
- C2H4N4
- 分子量
- 84.08
名称と別名
16681-77-91-Methyl-1H-tetrazole1H-Tetrazole, 1-methyl-1-methyl-1H-1,2,3,4-tetrazoleDTXSID60168195RefChem:439295DTXCID9090686804-879-9InChI=1/C2H4N4/c1-6-2-3-4-5-6/h2H,1H1-MethyltetrazoleN-MethyltetrazoleMFCD00129972
名称をさらに表示
1-メチル-1H-テトラゾール1-メチル-5-エチル-1H－テトラゾ-ル1-メチル-1H-1,2,3,4-テトラゾール1-メチル-1,2,3,4-テトラゾールTetroxoprim Impurity 81H-tetrazole,1-methyl-1-Methyl-1H-tetrazole>1-Methyl-1H-tetrazole(MTZ)
1-methyl-1,2,3,4-tetraazole1-methyl-1,2,3,4-tetrazoleN-methyl-1H-tetrazole1-Methyl-1H-tetraazole1-Methyl-1H-tetraazole #SCHEMBL68927SCHEMBL74781SCHEMBL308845
データベース識別子
- CAS
16681-77-9- PubChem CID
- 140123
- DTXSID
DTXSID60168195- EC Number
- 804-879-9
- Nikkaji
- J102.090K
物性
構造計算による物性
- XLogP
- -0.4
- 極性表面積
- 43.6 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 44
物理化学的性質
- 融点
- 37 to · 37.0 to 41.0 °C
- 沸点
- 81 °C/0.1mmHg · 81°C/0.1mmHg(lit.)
- 比重(密度)
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 1.09 · 1.09±0.10(Predicted)
- 色
- White to Light yellow to Light orange
- CAS データベース
- 16681 · 16681-77-9(CAS DataBase Reference)
安全と法規制
GHS分類
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesFlam. Sol. 1 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (75%)
安全データ
- ridadr
- UN 1325 4.1/PG III
- hs_code
- 2933.99.9701
- risk_code
- 36/37/38
- 消防法
- 危-5-II
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- 4.1
- packing_group
- III
化学と産業
応用分野
用途有機合成原料。
上流・下流製品情報
下流製品
サプライヤー69 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
関連反応
11 件
化合物ノート
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