Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c[nH]nc2c1- InChIKey
ORZRMRUXSPNQQL-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
Names & identifiers
- Preferred name
- 6-Nitroindazole
- IUPAC
- 6-nitro-1H-indazole
- English name
- 2H-Indazole, 6-nitro-
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
6-Nitroindazole7597-18-46-Nitro-2H-indazole1H-INDAZOLE, 6-NITRO-6-nitro-indazoleDTXSID40884407RefChem:105094DTXCID901023848231-500-96-Nitro-1H-indazole65750-02-96-Nitroisoindazole
Show more names
2H-Indazole, 6-nitro-
MFCD000056952H-Indazole, 6-nitro-CHEMBL54277MLS000069593NSC-35066NSC-56816SMR0000590166NI
Database identifiers
- CAS
65750-02-9- ChEMBL
CHEMBL54277- UNII
- QQ3V5MKN8K
- EC Number
- 231-500-9
- Nikkaji
- J208.784G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
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
Positive
1.78
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
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.
Hazard information
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%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indazole, 6-nitro-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers13 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
斯芬克司药物研发（天津）股份有限公司022-66211289-843 13672102692 · [email protected]
信实生物医药（上海）有限公司+86-021-50720296 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
德州博腾精细化工有限公司[email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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