CAS 10397-15-6 4,6-Dichloro-n-methylpyrimidin-2-amine (HCID 259880)

Substructure search Find similar structures

Basic information

CAS: 10397-15-6
Standard SMILES: CNc1nc(Cl)cc(Cl)n1
InChIKey: UBGCYDBGKBKRCT-UHFFFAOYSA-N
Molecular formula: C5H5Cl2N3
Average molar mass: 178.02 g/mol
Monoisotopic mass: 176.98605252

Names & identifiers

Preferred name: 4,6-Dichloro-n-methylpyrimidin-2-amine
IUPAC: 4,6-dichloro-N-methylpyrimidin-2-amine
English name: 2,6-dichloro-N-Methyl pyriMidin-4-aMine
Molecular formula: C5H5Cl2N3
Molecular weight: 178.02

Names & synonyms

4,6-dichloro-n-methylpyrimidin-2-amine10397-15-6MFCD020911094,6-dichloro-N-methyl-2-pyrimidinamine2,6-dichloro-N-Methyl pyriMidin-4-aMine2-PYRIMIDINAMINE, 4,6-DICHLORO-N-METHYL-NSC906044,6-dichloro-N-methyl-pyrimidin-2-amine2-Pyrimidinamine,4,6-dichloro-N-methyl-NCIOpen2_0014464,6-DICHLORO-N-METHYL-PYRIMIDINE-2-AMINESCHEMBL1318655

Show more names

100066

DTXSID10293547UBGCYDBGKBKRCT-UHFFFAOYSA-NCS-M1588KAA39715NSC 90604NSC-906042-methylamino-4,6-dichloro-pyrimidineAKOS016008726

Database identifiers

CAS: 10397-15-6
PubChem CID: 259880
DTXSID: DTXSID10293547
EC Number: 138-948-3

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 164 °C · 164 °C
Boiling point: 295.7 · 295.7±43.0 °C(Predicted)
Density: 1.492 · 1.492
refractive index: 1.619 · 1.619
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 0.45 · 0.45±0.25(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501