CAS 1245816-10-7 (5-methyl-1H-indazol-4-yl)boronic acid (HCID 44119475)

基本情報

CAS: 1245816-10-7
標準SMILES: Cc1ccc2[nH]ncc2c1B(O)O
InChIKey: HRURFOBSNYPWDM-UHFFFAOYSA-N
分子式: C8H9BN2O2
平均分子量: 175.98 g/mol
単同位体質量: 176.0757077

名称と識別子

優先名称: (5-methyl-1H-indazol-4-yl)boronic acid
IUPAC: (5-methyl-1H-indazol-4-yl)boronic acid
現地名: 5-メチル-1H-インダゾール-4-イル-4-ボロン酸
英語名: 5-methyl-1H-indazol-4-yl-4-boronic acid
分子式: C8H9BN2O2
分子量: 175.98

名称と別名

1245816-10-7(5-methyl-1H-indazol-4-yl)boronic acidDTXSID40657254RefChem:404105DTXCID40608004813-445-85-Methyl-1H-indazole-4-boronic acid5-Methyl-1H-indazol-4-yl-4-boronic acidMFCD10001490Boronic acid, B-(5-methyl-1H-indazol-4-yl)-5-methyl-1h-indazol-4-yl boronic acidAKOS005258836

名称をさらに表示

5-メチル-1H-インダゾール-4-イル-4-ボロン酸5-Methyl-1H-indazole-4-boronic acid 97%B-(5-Methyl-1H-indazol-4-yl)boronic acid5-Methyl-1H-indazole-4-boronic acid - [M5701]5-Methyl-1H-indazole-4-boronic acid, CAS 1245816-10-7(5-methyl-1H-indazol-4-yl)boronic acid(contains varying amounts of Anhydride)

CS-W019606PB47865(5-methyl-1H-indazol-4-yl)boronicacid4-Borono-5-methyl-1H-indazoleBCP23498orb3022929SCHEMBL9939628SCHEMBL29517434

データベース識別子

CAS: 1245816-10-7
PubChem CID: 44119475
DTXSID: DTXSID40657254
EC Number: 813-445-8

物性

構造計算による物性

極性表面積: 69.1 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 191

物理化学的性質

沸点: 457 · 457.0±47.0 °C(Predicted)
比重(密度): 1.35 · 1.35±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 8.27 · 8.27±0.30(Predicted)
InChI: InChI=1S/C8H9BN2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKey: HRURFOBSNYPWDM-UHFFFAOYSA-N
SMILES: B(C1=C(C)C=CC2=C1C=NN2)(O)O

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2933998090

化学と産業

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杭州品高化工有限公司0571-87658025 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

化合物ノート

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