Basic information
- CAS
110525-57-0- Standard SMILES
O=[N+]([O-])c1ccc(Cn2cccn2)cc1- InChIKey
ZFWQFBNNHCBSFT-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 1-(4-Nitrobenzyl)-1H-pyrazole
- IUPAC
- 1-[(4-nitrophenyl)methyl]pyrazole
- English name
- 1-[(4-Nitrophenyl)methyl]pyrazole
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
1-(4-Nitrobenzyl)-1H-pyrazole110525-57-01-[(4-nitrophenyl)methyl]pyrazole1-(4-Nitrobenzyl)pyrazoleMFCD059955921-[(4-nitrophenyl)methyl]-1H-pyrazoleSCHEMBL7094207[(4-nitrophenyl)methyl]pyrazoleDTXSID40359584ZFWQFBNNHCBSFT-UHFFFAOYSA-NSBB093113AKOS013124898
Show more names
1-(4-NITROBENZYL)-1H-PYRAZOLE, 95+%1H-Pyrazole, 1-[(4-nitrophenyl)methyl]-
CS-W003261AS-30553SY031406DB-040908DB-060006F077768
Database identifiers
- CAS
110525-57-0- PubChem CID
- 973663
- DTXSID
DTXSID40359584- Nikkaji
- J1.360.663C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Boiling point
- 394.5 · 394.5±25.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 1.79 · 1.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
Aladdin Scientific[email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
2 records
Compound notes
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