6-硝基吲唑 (HCID 24239)

名称与标识

首选名称: 6-Nitroindazole
IUPAC: 6-nitro-1H-indazole
中文名: 6-硝基吲唑
英文名: 6-Nitroindazole
分子式: C7H5N3O2
分子量: 163.13

名称与别名

6-Nitroindazole7597-18-46-Nitro-2H-indazole1H-INDAZOLE, 6-NITRO-6-nitro-indazoleDTXSID40884407RefChem:105094DTXCID901023848231-500-96-Nitro-1H-indazole65750-02-96-Nitroisoindazole

展开更多名称

6-硝基吲唑帕唑帕尼杂质59阿西替尼杂质N226-硝基-1H-吲唑6-硝基吲唑,97%6-硝基-1氢-吲唑6-硝基吲唑 25G6-氯喹啉-6-甲酸6-硝基-1H-吲唑,97%6-硝基吲唑/7597-18-46-Nitrobrazol6-Nitroindazoles6-nitro-1h-indazol6-Nitroindazole>6-Nitroindazole 97%6-Nitroindazole,98%6-Nitroindazole ,97%

MFCD000056952H-Indazole, 6-nitro-CHEMBL54277MLS000069593NSC-35066NSC-56816SMR0000590166NI

数据库标识

CAS: 7597-18-4
PubChem CID: 24239
DTXSID: DTXSID40884407
ChEMBL: CHEMBL54277
UNII: QQ3V5MKN8K
EC Number: 231-500-9
Nikkaji: J208.784G

性质

结构计算性质

XLogP: 2.1
极性表面积: 74.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 192

实验与物化性质

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesChemical shift

LogP2.06

Solubility>24.5 [ug/mL] (The mean of the results at pH 7.4)

Ionization Efficiency · 6 条

Positive

1.78

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

物理化学性质

熔点: 180 · 180-182 °C (lit.)
沸点: 290.19 °C · 290.19°C (rough estimate)
密度: 1.4141 · 1.4141 (rough estimate)
折射率: 1.55 · 1.5500 (estimate)
储存条件: Sealed in dry,Room Temperature
溶解度: very faint turbidity in hot Methanol
酸度系数(pKa): 11.08 · 11.08±0.40(Predicted)
形态: Powder
颜色: Light Yellow
BRN: 7812 · 7812
InChI: InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
InChIKey: ORZRMRUXSPNQQL-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC([N+]([O-])=O)=C2)C=N1
CAS 数据库: 7597 · 7597-18-4(CAS DataBase Reference)
NIST化学物质信息: 6 · 6-Nitroindazole(7597-18-4)
EPA化学物质信息: 1 H-Indazole, · 1H-Indazole, 6-nitro- (7597-18-4)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory InformationChemical: 1H-Indazole, 6-nitro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (91.3%)

安全数据

wgk: 3
tsca: TSCA listed
RTECS号: NK7962100
存储类别: 11 - Combustible Solids
安全说明: 26-27-36/37/39
海关编码: 29339900
危险品标志: Xn,Xi
危险性类别: Acute Tox. 4 Oral
危险类别码: 20/21/22-36/37/38-40-68-36

化学与工业

用途与制造

General Manufacturing Information1H-Indazole, 6-nitro-: INACTIVE

上下游产品信息

上游原料

亚硝酸钠 2-氨基-4-硝基甲苯醋酸

下游产品

6-碘-1H-吲唑 2-甲基-6-氨基-2H-吲唑 (E)-6-硝基-3-[2-(吡啶-2-基)乙烯基]-1-(四氢-2H-吡喃-2-基)-1H-吲唑 (E)-3-[2-(吡啶-2-基)乙烯基]-1-(四氢-2H-吡喃-2-基)-1H-吲唑-6-胺 1-甲基-6-氨基-1H-吲唑 5-硝基-2-甲基苯酚 3-碘-6-硝基吲唑 6-羟基吲唑 5,6-dinitro-1H-indazole 1-BOC-6-硝基吲唑 6-硝基-7-氨基吲唑 6-氨基吲唑

试剂价格

N0399 · 25G: 6-硝基吲唑6-Nitroindazole — 70元
N0399 · 250G: 6-硝基吲唑6-Nitroindazole — 390元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

关联笔记

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6-硝基吲唑

基本信息