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Basic information
- CAS
36314-97-3- Standard SMILES
Nc1nc(Cl)cc(-c2ccccc2)n1- InChIKey
FIPBRZXDWSODDX-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3
- Average molar mass
- 205.64 g/mol
- Monoisotopic mass
- 205.04067494
Names & identifiers
- Preferred name
- 2-Amino-4-chloro-6-phenylpyrimidine
- IUPAC
- 4-chloro-6-phenylpyrimidin-2-amine
- English name
- 2-Amino-4-chloro-6-phenylpyrimidine
- Molecular formula
- C10H8ClN3
- Molecular weight
- 205.64
Names & synonyms
2-Amino-4-chloro-6-phenylpyrimidine36314-97-34-chloro-6-phenylpyrimidin-2-amineMFCD000307842-Pyrimidinamine, 4-chloro-6-phenyl-CHEMBL1253208NSC475194-Chloro-6-phenyl-pyrimidin-2-ylamineMLS000711261SCHEMBL1643108DTXSID302867742,2,2,3-tetrafluoroacetophenone
Show more names
IFLAB-BB F2108-01976-chloro-4-phenylpyrimidin-2-amine2-Amino-4-phenyl-6-chloropyrimidine2-AMINO-4-CHLORO-6-PHENYLPYRIMIDINE ISO 9001：2015 REACH
SCHEMBL27719490HMS2656G1HMS2656G114-chloro-6-phenyl-2-pyrimidinamineBDBM50482744NSC-475194-chloro-6-phenyl-pyrimidin-2-amine4-chloro-6-phenylpyrimidin-2-ylamine
Database identifiers
- CAS
36314-97-3- PubChem CID
- 240802
- DTXSID
DTXSID30286774- ChEMBL
CHEMBL1253208- EC Number
- 156-195-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Experimental & physicochemical properties
Solubility29.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 433.1 · 433.1±37.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 3.02 · 3.02±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
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%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers51 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
16 records
Compound notes
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