2,5-Dimethyl-1,3-oxazole-4-carboxylic acid

HCID 2795465CAS 23000-14-8
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(C(=O)O)c(C)o1
InChIKey
LHGRUGVXZLHYKE-UHFFFAOYSA-N
Molecular formula
C6H7NO3
Average molar mass
141.12 g/mol
Monoisotopic mass
141.04259308

Names & identifiers

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

Names & synonyms

23000-14-82,5-dimethyl-1,3-oxazole-4-carboxylic acidDTXSID40383687RefChem:444481DTXCID00334711822-871-32,5-Dimethyloxazole-4-carboxylic aciddimethyl-1,3-oxazole-4-carboxylic acid4-Oxazolecarboxylic acid, 2,5-dimethyl-MFCD03011595SCHEMBL287238STK504859
Show more names
4-Carboxy-2,5-dimethyl-1,3-oxazole2,5-Dimethyl-1,3-oxazole-4-carboxylicacid97%2,5-Dimethyl-1,3-oxazole-4-carboxylic acid 97%dimethyl-1,3-oxazole-4-carboxylic acid - [D85412]
2,5-Dimethyl-1,3-Oxazole-4-CarboxylicAcid2,5-Dimethyloxazole-4-carboxylicoxazole, 4-carboxy-2,5-dimethyl-SBB0490792,5-Dimethyloxazole-4-carboxylicacidAKOS002307125PS-37242,5-dimethyl-oxazole-4-carboxylic acid

Database identifiers

CAS
23000-14-8
PubChem CID
2795465
DTXSID
DTXSID40383687
EC Number
822-871-3
Nikkaji
J1.811.296E

Properties

Computed structural properties

XLogP
1
Topological polar surface area
63.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
232 °C · 232 °C
Boiling point
267.4 · 267.4±20.0 °C(Predicted)
Density
1.276 · 1.276±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
4.01 · 4.01±0.10(Predicted)
Appearance
Yellow to brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2934999090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_note
Harmful
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335

Chemistry & industry

Upstream & downstream products

Suppliers38 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

43 records
New reaction record

Linked notes

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