CAS 2510-37-4 Dimethyl-1,3-oxazole-5-carboxylic acid (HCID 1132979)

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Basic information

CAS: 2510-37-4
Standard SMILES: Cc1nc(C)c(C(=O)O)o1
InChIKey: JLSFKHJNJFXGAB-UHFFFAOYSA-N
Molecular formula: C6H7NO3
Average molar mass: 141.12 g/mol
Monoisotopic mass: 141.04259309

Names & identifiers

Preferred name: Dimethyl-1,3-oxazole-5-carboxylic acid
IUPAC: 2,4-dimethyl-1,3-oxazole-5-carboxylic acid
English name: 2,4-dimethyl-1,3-oxazole-5-carboxylic acid
Molecular formula: C6H7NO3
Molecular weight: 141.12

Names & synonyms

dimethyl-1,3-oxazole-5-carboxylic acidRefChem:588437813-279-62510-37-42,4-dimethyloxazole-5-carboxylic acid2,4-dimethyl-1,3-oxazole-5-carboxylic acid2,4-Dimethyl-oxazole-5-carboxylic acid5-Oxazolecarboxylic acid, 2,4-dimethyl-MFCD060110902,4-dimethyl-5-oxazolecarboxylic acidDTXSID303606442,4-dimethyloxazole-5-carboxylicacid

Show more names

EOS-61011AKOS A0602-0416OTAVA-BB 7118560799UKRORGSYN-BB BBV-1566222,4-DIMETHYL-OXAZOLE-5-CARBOXYLICACID（WS200105）2,4-dimethyl-1,3-oxazole-5-carboxylic acid(SALTDATA: FREE)

AS-19590SY192463EN300-93519Z3354424702,4-Dimethyl-1,3-oxazole-5-carboxylic Acid; 2,4-Dimethyloxazole-5-carboxylic Acid; 5-Carboxy-2,4-dimethyloxazoleA50952,4-DimSCHEMBL286999

Database identifiers

CAS: 2510-37-4
PubChem CID: 1132979
DTXSID: DTXSID30360644
EC Number: 813-279-6

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 148

Physicochemical properties

Melting point: 247 °C · 247 °C (decomp)
Boiling point: 278.5 · 278.5±20.0 °C(Predicted)
Density: 1.276 · 1.276±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly, Heated)
form: Solid
pka: 3.62 · 3.62±0.10(Predicted)
color: Off-White to Pale Beige
InChI: InChI=1S/C6H7NO3/c1-3-5(6(8)9)10-4(2)7-3/h1-2H3,(H,8,9)
InChIKey: JLSFKHJNJFXGAB-UHFFFAOYSA-N
SMILES: O1C(C(O)=O)=C(C)N=C1C
CAS DataBase Reference: 2510 · 2510-37-4
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (66.7%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P280

Chemistry & industry

Applications

Uses2,4-Dimethyl-5-oxazolecarboxylic Acid is a useful synthetic intermediate. It is used as a reagent to synthesize human phosphodiesterases (PDE) 5 inhibitor sildenafil analogs as trypanosomal PDE inhibitors.