4,6-Dichloropyrimidine-5-carboxamide

HCID 600359
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Basic information

CAS
911461-47-7
Standard SMILES
NC(=O)c1c(Cl)ncnc1Cl
InChIKey
QYAHLZVZKDGUAW-UHFFFAOYSA-N
Molecular formula
C5H3Cl2N3O
Average molar mass
192 g/mol
Monoisotopic mass
190.96531708

Names & identifiers

Preferred name
4,6-Dichloropyrimidine-5-carboxamide
IUPAC
4,6-dichloropyrimidine-5-carboxamide
English name
4,6-DICHLORO-5-PYRIMIDINECARBOXAMIDE
Molecular formula
C5H3Cl2N3O
Molecular weight
192

Names & synonyms

4,6-dichloropyrimidine-5-carboxamide911461-47-74,6-Dichloro-5-pyrimidinecarboxamideMFCD099097894,6-Dichloro-5-carbamylpyrimidine5-Carbamoyl-4,6-dichloropyrimidineSCHEMBL2546883DTXSID8034491446-Dichloropyrimidine-5-carboxamideAKOS006310243AB54932DS-5885
Show more names
5-Pyrimidinecarboxamide, 4,6-dichloro-4,6-Dichloro-pyrimidine-5-carboxylic acid amide
4,6-Dichloro-5-pyrimidinecarboxamide #SY108577DB-099592CS-01869244,6-Dichloropyrimidine-5-carboxylic acid amideC77109F318406Q63399143

Database identifiers

CAS
911461-47-7
PubChem CID
600359
DTXSID
DTXSID80344914
Nikkaji
J47.173I

Properties

Computed structural properties

XLogP
1
Topological polar surface area
68.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
202 · 202-204 °C(Solv: isopropanol (67-63-0))
Boiling point
311.9 · 311.9±42.0 °C(Predicted)
Density
1.62 · 1.620±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
12.39 · 12.39±0.50(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]

Related reactions

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Compound notes

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