1-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine
Basic information
- CAS
956440-98-5- Standard SMILES
Cc1cc(N)nn1Cc1c(Cl)cccc1Cl- InChIKey
OXQFQKMBUFYKMI-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2N3
- Average molar mass
- 256.13 g/mol
- Monoisotopic mass
- 255.0330028
Names & identifiers
- Preferred name
- 1-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-amine
- IUPAC
- 1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine
- English name
- 1-(2,6-dichlorobenzyl)-5-methyl-1H-pyrazol-3-amine
- Molecular formula
- C11H11Cl2N3
- Molecular weight
- 256.13
Names & synonyms
956440-98-51-[(2,6-dichlorophenyl)methyl]-5-methyl-1h-pyrazol-3-amine1-((2,6-dichlorophenyl)methyl)-5-methyl-1H-pyrazol-3-amineRefChem:418255868-648-41-(2,6-dichlorobenzyl)-5-methyl-1H-pyrazol-3-amineMFCD049699881-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-amine1-[(2,6-dichlorophenyl)methyl]-5-methyl-pyrazol-3-amine1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazole-3-ylamine1-(2,6-dichloro-benzyl)-5-methyl-1h-pyrazol-3-ylamineGNB44098
Show more names
1H-Pyrazol-3-amine, 1-[(2,6-dichlorophenyl)methyl]-5-methyl-
BBL010186SBB022239STK298752AKOS000310153VS-02369DB-017051CS-0240698ST45091780
Database identifiers
- CAS
956440-98-5- PubChem CID
- 7017724
- EC Number
- 868-648-4
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 427.6 · 427.6±45.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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