Basic information
- CAS
5228-48-8- Standard SMILES
Cn1cc2cc([N+](=O)[O-])ccc2n1- InChIKey
IWPBWVZEOVCZRX-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 2-Methyl-5-nitro-2H-indazole
- IUPAC
- 2-methyl-5-nitroindazole
- English name
- 2-Methyl-5-nitro-2H-indazole
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
2-Methyl-5-nitro-2H-indazole5228-48-82H-Indazole, 2-methyl-5-nitro-NSC 131655DTXSID609666582H-Benzopyrazole, 2-methyl-5-nitro-RefChem:88178DTXCID301394285688-436-3IWPBWVZEOVCZRX-UHFFFAOYSA-N2-methyl-5-nitroindazole2-methyl-5-nitro-indazole
Show more names
Methylnitroindazole2-Methyl-5-nitro-1H-indazole2-Methyl-5-nitro-2H-indazole, 98+%
MFCD00051809H3B9KJ36AQNSC-131655NSC131655UNII-H3B9KJ36AQOprea1_234458MLS000764009SCHEMBL654958
Database identifiers
- CAS
5228-48-8- PubChem CID
- 97550
- DTXSID
DTXSID60966658- ChEMBL
CHEMBL1484648- UNII
- H3B9KJ36AQ
- EC Number
- 688-436-3
- Nikkaji
- J150.513K
Properties
Computed structural properties
- XLogP
- 1.8
- 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
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Solubility24.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 129 · 129-131°C
- Boiling point
- 364.502 · 364.502±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.425 · 1.425±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder
- pka
- 0.346 · 0.346±0.40(predicted)
- color
- Yellow
- BRN
- 167044 · 167044
- InChI
- 1S/C8H7N3O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9-10/h2-5H,1H3
- InChIKey
- IWPBWVZEOVCZRX-UHFFFAOYSA-N
- SMILES
- CN1C=C(C=C([N+]([O-])=O)C=C2)C2=N1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers53 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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