Basic information
- CAS
26120-43-4- Standard SMILES
Cn1ncc2c([N+](=O)[O-])cccc21- InChIKey
FGSQGIYFGWQTRE-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382646
Names & identifiers
- Preferred name
- 1-Methyl-4-nitro-1H-indazole
- IUPAC
- 1-methyl-4-nitroindazole
- English name
- 1-Methyl-4-nitro-1H-indazole
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
1-Methyl-4-nitro-1H-indazole26120-43-41-Methyl-4-nitroindazole1H-Indazole, 1-methyl-4-nitro-MFCD09607929CHEMBL2071543NSC1316581-methyl-4-nitroindazol1-Mmethyl-4-nitroindazoleSCHEMBL618730SCHEMBL30410440DTXSID70299626
Show more names
1-Methyl-4-nitro-2H-Indazole4,9-dimethoxy-5-oxo-7-furo[3,2-g][1]benzopyrancarboxylic acid
1-Methyl-4-nitro-1H-indazole #BDBM50390019EBC-03425SBB089253AKOS005072002AB92336CB-0816NSC-131658
Database identifiers
- CAS
26120-43-4- PubChem CID
- 280213
- DTXSID
DTXSID70299626- ChEMBL
CHEMBL2071543- Nikkaji
- J129.688D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Melting point
- 141 · 141-142
- Boiling point
- 332.9 · 332.9±15.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- crystalline powder
- pka
- -1.87 · -1.87±0.30(Predicted)
- color
- Yellow
- InChI
- InChI=1S/C8H7N3O2/c1-10-7-3-2-4-8(11(12)13)6(7)5-9-10/h2-5H,1H3
- InChIKey
- FGSQGIYFGWQTRE-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C([N+]([O-])=O)=CC=C2)C=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
上海相辉医药科技有限公司[email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
Hefei Hirisun Pharmatech Co., Ltd+8615056975894 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
12 records
Compound notes
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