Basic information
- Standard SMILES
Nc1c(Cl)nc(-c2ccccc2)nc1Cl- InChIKey
WYMSKTBVPZTMHU-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N3
- Average molar mass
- 240.09 g/mol
- Monoisotopic mass
- 239.0017026
Names & identifiers
- Preferred name
- 4,6-Dichloro-2-phenylpyrimidin-5-amine
- IUPAC
- 4,6-dichloro-2-phenylpyrimidin-5-amine
- English name
- 4,6-Dichloro-2-phenylpyrimidin-5-amine
- Molecular formula
- C10H7Cl2N3
- Molecular weight
- 240.09
Names & synonyms
4,6-dichloro-2-phenylpyrimidin-5-amine20959-02-8DTXSID00353083RefChem:285790DTXCID50304146820-107-35-Pyrimidinamine, 4,6-dichloro-2-phenyl-5-Amino-4,6-dichloro-2-phenylpyrimidineMFCD005202514,6-dichloro-2-phenyl-5-pyrimidinamineMLS001004608SCHEMBL4663325
Show more names
4,6-Dichloro-2-phenylpyrimidin-5-amine, 5-Amino-4,6-dichloro-2-phenyl-1,3-diazine, (5-Amino-4,6-dichloropyrimidin-2-yl)benzene
CHEMBL1581179WYMSKTBVPZTMHU-UHFFFAOYSA-NHMS1754L16AKOS002528566SB580294,6-dichloro-2-phenyl-pyrimidin-5-amineSMR0003481744,6-dichloro-2-phenylpyrimidine-5-ylamine
Database identifiers
- CAS
20959-02-8- PubChem CID
- 736673
- DTXSID
DTXSID00353083- ChEMBL
CHEMBL1581179- EC Number
- 820-107-3
- Nikkaji
- J2.086.139H
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 197
Experimental & physicochemical properties
Solubility7.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 139 · 139-141.5 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 258.9 · 258.9±40.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- -3.4 · -3.40±0.39(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
Safety & regulation
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
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
1 records
Linked notes
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