Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester

CAS NO.：83249-10-9
Empirical Formula: C8H10O4
Molecular Weight: 170.16
MDL number: MFCD20638314
SAFETY DATA SHEET (SDS)
Update Date: 2024-04-03 15:02:23

What is Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester?

The Uses of Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester

Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acid, 1-methyl Ester acts as a reagent for the synthesis and in the biopharmaceutical evaluation of imatinib analogs. Also functions as a reagent for the preparation and in biological evaluation of novel bicyclo[1.1.1]pentane-based acidic amino acids as glutamate receptors ligands It is a COVID19-related research product.

Properties of Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester

Melting point:	138-139 °C(Solv: chloroform (67-66-3); heptane (142-82-5))
Boiling point:	272.2±40.0 °C(Predicted)
Density	1.559±0.06 g/cm3(Predicted)
storage temp.	2-8°C
form	powder to crystal
pka	4.50±0.40(Predicted)
color	White to Orange to Green
InChI	InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10)

Safety information for Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid, MonoMethyl ester

InChIKey	UJZHYIMESNWEQA-UHFFFAOYSA-N
SMILES	C12(C(OC)=O)CC(C(O)=O)(C1)C2

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