基本情報
- CAS
720702-41-0- 標準SMILES
Cn1nccc1B(O)O- InChIKey
MGNBKNBEZGLHNF-UHFFFAOYSA-N- 分子式
- C4H7BN2O2
- 平均分子量
- 125.92 g/mol
- 単同位体質量
- 126.06005786
名称と識別子
- 優先名称
- (1-methyl-1H-pyrazol-5-yl)boronic acid
- IUPAC
- (2-methylpyrazol-3-yl)boronic acid
- 英語名
- (1-Methyl-1H-pyrazol-5-yl)-boronic acid
- 分子式
- C4H7BN2O2
- 分子量
- 125.92
名称と別名
720702-41-0(1-methyl-1H-pyrazol-5-yl)boronic acidDTXSID90457847RefChem:204613DTXCID80408666690-697-3(1-Methyl-1H-pyrazol-5-yl)-boronic acid1-Methylpyrazole-5-boronic acid1-METHYL-1H-PYRAZOLE-5-BORONIC ACID(2-methylpyrazol-3-yl)boronic Acid1-METHYL-1H-PYRAZOL-5-YLBORONIC ACIDMFCD11053031
名称をさらに表示
-5-yL(1-Methyl-1H-pyrazol-5-yl...1-Methylpyrazole-5-boric acid,(2-methyl-3-pyrazolyl)boronic acid
Boronic acid, (1-methyl-1H-pyrazol-5-yl)-CS-D05451-Methyl-1H-pyrazol-5-yl-5-boronic acid1-Methyl-pyrazole-5-boronic acid(1-methyl-1H-pyraz2-METHYL-2H-PYRAZOLE-3-BORONIC ACIDSCHEMBL3232371-methyl pyrazole-5-boronic acid
データベース識別子
- CAS
720702-41-0- PubChem CID
- 11182610
- DTXSID
DTXSID90457847- EC Number
- 690-697-3
- Nikkaji
- J3.563.361H
物性
構造計算による物性
- 極性表面積
- 58.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 101
物理化学的性質
- 沸点
- 323 · 323.0±34.0 °C(Predicted)
- 比重(密度)
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- 酸解離定数(Pka)
- 8 · 8.00±0.58(Predicted)
- InChI
- InChI=1S/C4H7BN2O2/c1-7-4(5(8)9)2-3-6-7/h2-3,8-9H,1H3
- InChIKey
- MGNBKNBEZGLHNF-UHFFFAOYSA-N
- SMILES
- B(C1N(C)N=CC=1)(O)O
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- hs_code
- 2933199090
- risk_code
- 36
- safety_code
- 26
化学と産業
応用分野
使用1-Methyl-1H-pyrazole-5-boronic Acid acts as a reagent for the design, synthesis and evaluation of novel porcupine inhibitors featuring a fused 3-ring system based on ‘reversed’ amide scaffold.
上流・下流製品情報
上流原料
サプライヤー100 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
南京纽安洁化工科技有限公司0515-82159099 13770142076
関連反応
27 件
化合物ノート
読み込み中…