Basic information
- CAS
76689-64-0- Standard SMILES
Cc1nn(C)c(N)c1[N+](=O)[O-]- InChIKey
BSUSGJKEVOQESO-UHFFFAOYSA-N- Molecular formula
- C5H8N4O2
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.06472551
Names & identifiers
- Preferred name
- 1,3-dimethyl-4-nitro-1H-pyrazol-5-amine
- IUPAC
- 1,3-dimethyl-4-nitropyrazol-5-amine
- English name
- 5-Amino-1,3-dimethyl-4-nitropyrazole
- Molecular formula
- C5H8N4O2
- Molecular weight
- 156.14
Names & synonyms
76689-64-01,3-dimethyl-4-nitro-1H-pyrazol-5-amineDTXSID70370681RefChem:218734DTXCID30321715822-194-35-AMINO-1,3-DIMETHYL-4-NITROPYRAZOLE2,5-dimethyl-4-nitropyrazol-3-amineMLS000851447SCHEMBL4501944SCHEMBL4501948CHEMBL1484539
Show more names
2,5-dimethyl-4-nitro-3-pyrazolamine1H-Pyrazol-5-amine, 1,3-dimethyl-4-nitro-
HMS2790L03BDA68964AKOS0091580482,5-dimethyl-4-nitro-pyrazol-3-amineSMR000457890DB-056109CS-0230878EN300-106016
Database identifiers
- CAS
76689-64-0- PubChem CID
- 2735324
- DTXSID
DTXSID70370681- ChEMBL
CHEMBL1484539- EC Number
- 822-194-3
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Solubility14.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 136 · 136-138
- Boiling point
- 327.3 · 327.3±37.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 0.31 · 0.31±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Hazard Note
- 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]
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 2 reports by companies from 1 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
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H335-H319-H315-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [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]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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