Completing data — refresh the page later to see the latest
Basic information
- CAS
88095-61-8- Standard SMILES
O=[N+]([O-])c1cnn(Cc2ccccc2)c1- InChIKey
IYZHZCMFLIKMSN-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 1-Benzyl-4-nitro-1H-pyrazole
- IUPAC
- 1-benzyl-4-nitropyrazole
- English name
- 1-Benzyl-4-nitro-1H-pyrazole
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
1-Benzyl-4-nitro-1H-pyrazole88095-61-8DTXSID80359583RefChem:228088DTXCID603106371-benzyl-4-nitropyrazoleMFCD030878861H-Pyrazole, 4-nitro-1-(phenylmethyl)-SCHEMBL2360147STK408227AKOS000310386KB-0807
Show more names
4-nitro-1-(phenylmethyl)pyrazole1H-Pyrazole,4-nitro-1-(phenylmethyl)-
CS-0124139V10031CUPRIC CHLORIDE 2-HYDRATE4-nitro-1-benzylpyrazoleFT-06811591-benzyl-4-nitro-pyrazoleA862323SCHEMBL9292962
Database identifiers
- CAS
88095-61-8- PubChem CID
- 973645
- DTXSID
DTXSID80359583- EC Number
- 121-017-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- 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
- 223
Physicochemical properties
- Melting point
- 56 · 56-58°C
- Boiling point
- 379.9 · 379.9±25.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.31 · -2.31±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
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]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers23 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都市久鼎化学技术有限公司18584079237 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海贤鼎生物科技有限公司
Related reactions
3 records
Compound notes
Loading…