5-(2,4-Dichlorophenyl)-1H-pyrazol-3-amine
Basic information
- CAS
502132-96-9- Standard SMILES
Nc1cc(-c2ccc(Cl)cc2Cl)[nH]n1- InChIKey
XSHXVQWCAGNATP-UHFFFAOYSA-N- Molecular formula
- C9H7Cl2N3
- Average molar mass
- 228.07 g/mol
- Monoisotopic mass
- 227.0017026
Names & identifiers
- Preferred name
- 5-(2,4-Dichlorophenyl)-1H-pyrazol-3-amine
- IUPAC
- 5-(2,4-dichlorophenyl)-1H-pyrazol-3-amine
- English name
- 5-(2,4-dichlorophenyl)-1H-pyrazol-3-amine
- Molecular formula
- C9H7Cl2N3
- Molecular weight
- 228.08
Names & synonyms
502132-96-93-(2,4-dichlorophenyl)-1H-pyrazol-5-amine5-(2,4-dichlorophenyl)-1H-pyrazol-3-amineDTXSID101269713RefChem:529136DTXCID801700328974-323-9MFCD266266743-Amino-5-(2,4-dichlorophenyl)pyrazoleSCHEMBL10682654MFCD02664282SBB018203
Show more names
1H-Pyrazol-3-amine, 5-(2,4-dichlorophenyl)-JR-8674, 3-(2,4-Dichlorophenyl)-1H-pyrazol-5-amine, 97%
STK891545AKOS000183278SY2686943-(2,4-dichlorophenyl)pyrazole-5-ylamineG27679EN300-1150460
Database identifiers
- CAS
502132-96-9- PubChem CID
- 3564360
- DTXSID
DTXSID101269713- EC Number
- 974-323-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 462.5 · 462.5±45.0 °C(Predicted)
- Density
- 1.496 · 1.496±0.06 g/cm3(Predicted)
- pka
- 13.45 · 13.45±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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