CAS 22536-66-9 2-Chloropyrimidine-4-carboxamide (HCID 247028)

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Basic information

CAS: 22536-66-9
Standard SMILES: NC(=O)c1ccnc(Cl)n1
InChIKey: UXXQEVFRPLIOHJ-UHFFFAOYSA-N
Molecular formula: C5H4ClN3O
Average molar mass: 157.56 g/mol
Monoisotopic mass: 157.00428943

Names & identifiers

Preferred name: 2-Chloropyrimidine-4-carboxamide
IUPAC: 2-chloropyrimidine-4-carboxamide
English name: 2-Chloropyrimidine-4-carboxamide
Molecular formula: C5H4ClN3O
Molecular weight: 157.56

Names & synonyms

2-Chloropyrimidine-4-carboxamideDTXSID80289417RefChem:470519DTXCID80240563695-897-422536-66-9MFCD002340532-CHLORO-PYRIMIDINE-4-CARBOXYLIC ACID AMIDE4-Pyrimidinecarboxamide, 2-chloro-NSC60802SCHEMBL2856347SCHEMBL2894784

Show more names

NSC 608022-chloro-4-Pyrimidinecarboxamide4-(Aminocarbonyl)-2-chloropyrimidine, 4-Carbamoyl-2-chloropyrimidine

2-Chloro-4-pyrimidinecarboxamide #NSC-60802Pyrimidine-4-carboxamide, 2-chloro-AKOS006283945EBC-612939NC57418PB21684PS-4731

Database identifiers

CAS: 22536-66-9
PubChem CID: 247028
DTXSID: DTXSID80289417
EC Number: 695-897-4

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 68.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 141

Physicochemical properties

storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: solid
Appearance: White to off-white Solid
InChI: InChI=1S/C5H4ClN3O/c6-5-8-2-1-3(9-5)4(7)10/h1-2H,(H2,7,10)
InChIKey: UXXQEVFRPLIOHJ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C(N)=O)=N1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P301+P312-P305+P351+P338
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 29242990 · 29242990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.