CAS 128276-49-3 Ethyl 4,6-dimethoxypyrimidine-2-carboxylate (HCID 4449183)

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Basic information

CAS: 128276-49-3
Standard SMILES: CCOC(=O)c1nc(OC)cc(OC)n1
InChIKey: ODMOQVSDVCHMLF-UHFFFAOYSA-N
Molecular formula: C9H12N2O4
Average molar mass: 212.2 g/mol
Monoisotopic mass: 212.07970687

Names & identifiers

Preferred name: Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
IUPAC: ethyl 4,6-dimethoxypyrimidine-2-carboxylate
English name: Ethyl 4,6-dimethoxypyrimidine-2-carboxylate
Molecular formula: C9H12N2O4
Molecular weight: 212.2

Names & synonyms

ethyl 4,6-dimethoxypyrimidine-2-carboxylate128276-49-3DTXSID20403413RefChem:343609DTXCID50354267812-483-2MFCD036453664,6-Dimethoxypyrimidine-2-carboxylic acidethyl ester2-ethoxycarbonyl-4,6-dimethoxypyrimidinePeakdale1_002680SCHEMBL577793HMS525J18

Show more names

Ethyl 4,6-dimethoxypyrimidine-2-carboxylate 95+%2-Pyrimidinecarboxylic acid, 4,6-dimethoxy-, ethyl esterMethyl 4-Methoxy-6-(MethoxyMethyl)pyriMidine-2-carboxylateEthyl 4,6-dimethoxypyrimidine-2-carboxylate ISO 9001：2015 REACH

ODMOQVSDVCHMLF-UHFFFAOYSA-NSBB094626AKOS015892553PS-7988SB57911SY516813ethyl4,6-dimethoxypyrimidine-2-carboxylateDB-351531

Database identifiers

CAS: 128276-49-3
PubChem CID: 4449183
DTXSID: DTXSID20403413
EC Number: 812-483-2
Nikkaji: J1.038.970D

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 70.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 200

Physicochemical properties

Melting point: 54 · 54-55 °C(Solv: hexane (110-54-3))
Boiling point: 351.7 · 351.7±45.0 °C(Predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Predicted)
form: solid
pka: -1.29 · -1.29±0.30(Predicted)
color: Light yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280-P304+P340-P305+P351+P338-P312
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.