4-Chloro-2-methoxypyrimidine

HCID 575230

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Basic information

CAS: 51421-99-9
Standard SMILES: COc1nccc(Cl)n1
InChIKey: XCAMEGPUILTZSU-UHFFFAOYSA-N
Molecular formula: C5H5ClN2O
Average molar mass: 144.56 g/mol
Monoisotopic mass: 144.00904046

Names & identifiers

Preferred name: 4-Chloro-2-methoxypyrimidine
IUPAC: 4-chloro-2-methoxypyrimidine
English name: Pyrimidine, 4-chloro-2-methoxy- (9CI)
Molecular formula: C5H5ClN2O
Molecular weight: 144.56

Names & synonyms

4-Chloro-2-methoxypyrimidine51421-99-9DTXSID10341714RefChem:521112DTXCID90292795640-631-44-Chloro-2-methoxy-pyrimidineMFCD09025734Pyrimidine, 4-chloro-2-methoxy-SCHEMBL619386-chloro 2,4-methoxypyrimidine4-Chloro-2-methoxypyrimidine #

Show more names

Pyrimidine, 4-chloro-2-methoxyPyrimidine, 4-chloro-2-methoxy- (9CI)4-Chloro-2-neneneba methoxy pyrimidinePyrimidine, 4-chloro-2-methoxy- (9CI) ISO 9001：2015 REACH5-4-chloro-2-methoxypyrimidinebromo-1-methylpyrrolo[2,3-b]pyridine

AKOS006282331CS-W019670AB49109PS-4732AM100898SCHEMBL791304SCHEMBL12483414SY037307

Database identifiers

CAS: 51421-99-9
PubChem CID: 575230
DTXSID: DTXSID10341714
EC Number: 640-631-4
Nikkaji: J526.200C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 35 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 91

Physicochemical properties

Boiling point: 234.5 · 234.5±32.0 °C(Predicted)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.22 · -0.22±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.