4-(2,4-Dichlorophenyl)-2-pyrimidinamine
Basic information
- CAS
828273-03-6- Standard SMILES
Nc1nccc(-c2ccc(Cl)cc2Cl)n1- InChIKey
IIQPBSILLIMQBY-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3
- Average molar mass
- 240.09 g/mol
- Monoisotopic mass
- 239.0017026
Names & identifiers
- Preferred name
- 4-(2,4-Dichlorophenyl)-2-pyrimidinamine
- IUPAC
- 4-(2,4-dichlorophenyl)pyrimidin-2-amine
- English name
- 4-(2,4-Dichlorophenyl)pyrimidin-2-amine
- Molecular formula
- C10H7Cl2N3
- Molecular weight
- 240.09
Names & synonyms
4-(2,4-dichlorophenyl)-2-pyrimidinamineRefChem:510723664-128-44-(2,4-dichlorophenyl)pyrimidin-2-amine828273-03-6MFCD040502402-pyrimidinamine, 4-(2,4-dichlorophenyl)-2-Pyrimidinamine,4-(2,4-dichlorophenyl)-SCHEMBL1759878DTXSID10406418ALBB-028409STK305204
Show more names
[4-(2,4-dichlorophenyl)pyrimidin-2-yl]amine
AKOS004104290SB58204NS-03343ST0830164-(2,4-dichlorophenyl)pyrimidine-2-ylamineCS-0237690EN300-186483H44023
Database identifiers
- CAS
828273-03-6- PubChem CID
- 4773592
- DTXSID
DTXSID10406418- EC Number
- 664-128-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Boiling point
- 432.3 · 432.3±53.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 2.68 · 2.68±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H318-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 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. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- Hazard statements
- H301-H318-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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