Basic information
- CAS
7119-95-1- Standard SMILES
O=[N+]([O-])n1cccn1- InChIKey
TYNVOQYGXDUHRX-UHFFFAOYSA-N- Molecular formula
- C3H3N3O2
- Average molar mass
- 113.08 g/mol
- Monoisotopic mass
- 113.02252635
Names & identifiers
- Preferred name
- 1H-Pyrazole, 1-nitro-
- IUPAC
- 1-nitropyrazole
- English name
- 1-Nitropyrazole
- Molecular formula
- C3H3N3O2
- Molecular weight
- 113.07
Names & synonyms
1-Nitropyrazole7119-95-11-Nitro-1H-pyrazole1H-Pyrazole, 1-nitro-DTXSID20221391RefChem:438928DTXCID20143882625-382-1N-NitropyrazoleMFCD000158941H-Pyrazole, nitro-52625-06-6
Show more names
AKOS B0064801-Nitopyrazole1H-NitropyrazoleTIMTEC-BB SBB0000271H-Pyrazole,1-nitro-(9CI)
1-Nitropyrazole, 98%1-Nitro-1H-pyrazole #SCHEMBL937SCHEMBL649190SCHEMBL15640072ALBB-009826STK348953AKOS000307930
Database identifiers
- CAS
7119-95-1- PubChem CID
- 146002
- DTXSID
DTXSID20221391- EC Number
- 625-382-1
- Nikkaji
- J480.549F
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 99.2
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 92 · 92-94 °C(lit.)
- Boiling point
- 269 °C · 269°C
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- -5.04 · -5.04±0.12(Predicted)
- color
- White to Light yellow
- CAS DataBase Reference
- 7119 · 7119-95-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
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
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933199090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers86 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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