4,6-Dichloro-5-nitro-2-phenylpyrimidine

HCID 100644
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Basic information

CAS
68921-91-5
Standard SMILES
O=[N+]([O-])c1c(Cl)nc(-c2ccccc2)nc1Cl
InChIKey
SDWYUIVXOJWKKA-UHFFFAOYSA-N
Molecular formula
C10H5Cl2N3O2
Average molar mass
270.07 g/mol
Monoisotopic mass
268.97588176

Names & identifiers

Preferred name
4,6-Dichloro-5-nitro-2-phenylpyrimidine
IUPAC
4,6-dichloro-5-nitro-2-phenylpyrimidine
English name
4,6-dichloro-5-nitro-2-phenylpyrimidine
Molecular formula
C10H5Cl2N3O2
Molecular weight
270.07

Names & synonyms

4,6-Dichloro-5-nitro-2-phenylpyrimidinePyrimidine, 4,6-dichloro-5-nitro-2-phenyl-EINECS 272-967-9DTXSID9071842NSC 338189RefChem:96631DTXCID8046329272-967-968921-91-5NSC3381894,6-Dichloro-5-nitro-2-phenyl-pyrimidineSCHEMBL7216241
Show more names
NSC-338189Pyrimidine,6-dichloro-5-nitro-2-phenyl-CS-0454907NS00036755AC-907/34127038

Database identifiers

CAS
68921-91-5
PubChem CID
100644
DTXSID
DTXSID9071842
EC Number
272-967-9
Nikkaji
J332.723J

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
71.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

EPA Substance Registry System
4 · Pyrimidine, 4,6-dichloro-5-nitro-2-phenyl- (68921-91-5)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyrimidine, 4,6-dichloro-5-nitro-2-phenyl-: INACTIVE

Upstream & downstream products

Suppliers1 total

南京汉海征程医药科技有限公司15850673134 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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