Basic information
- CAS
5272-86-6- Standard SMILES
Cc1n[nH]c(C)c1N- InChIKey
LNVWRBNPXCUYJI-UHFFFAOYSA-N- Molecular formula
- C5H9N3
- Average molar mass
- 111.15 g/mol
- Monoisotopic mass
- 111.0796473
Names & identifiers
- Preferred name
- Pyrazole, 4-amino-3,5-dimethyl-
- IUPAC
- 3,5-dimethyl-1H-pyrazol-4-amine
- English name
- 4-amino-3,5-dimethyl-pyrazol
- Molecular formula
- C5H9N3
- Molecular weight
- 111.15
Names & synonyms
3,5-Dimethyl-1H-pyrazol-4-amine4-Amino-3,5-dimethylpyrazole1H-Pyrazol-4-amine, 3,5-dimethyl-Pyrazole, 4-amino-3,5-dimethyl-BRN 0108529EINECS 226-095-0DTXSID102006905-25-09-00510 (Beilstein Handbook Reference)RefChem:177459DTXCID40123181226-095-0LNVWRBNPXCUYJI-UHFFFAOYSA-N
Show more names
1H-Pyrazol-4-aMine,3,5-diMethyl-3,5-dimethyl-1H-pyridineazole-4-amine3,5-Dimethyl-1h-pyrazol-4-amine dihydrochloride3,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: FREE)
5272-86-6MFCD001876664-Amino-3,5-dimethyl-pyrazolBBL005485F0266-0921SY079005EU-00669933,5-dimethylpyrazole-4-ylamine
Database identifiers
- CAS
5272-86-6- PubChem CID
- 78931
- DTXSID
DTXSID10200690- UNII
- 8BMK6PX3CW
- EC Number
- 226-095-0
- Nikkaji
- J297.972A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Melting point
- 204 · 204-205 °C
- Boiling point
- 300.7 · 300.7±37.0 °C(Predicted)
- Density
- 1.16 · 1.160±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly), DMSO (Sparingly), Methanol (Sparingly)
- form
- Solid
- pka
- 18.82 · 18.82±0.50(Predicted)
- color
- Off-White to Light Grey
- Stability
- Light Sensitive
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 501 · P501-P261-P272-P280-P302+P352-P362+P364-P333+P313
- HazardClass
- IRRITANT
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H317
- Precautionary statements
- P501-P261-P272-P280-P302+P352-P362+P364-P333+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers65 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
天津长江化学有限公司19129375004; 15321929114 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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