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Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester

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Name

Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester

EINECS N/A
CAS No. 22262-60-8 Density 1.839g/cm3
PSA 26.30000 LogP 1.56540
Solubility N/A Melting Point N/A
Formula C5H8Br2O2 Boiling Point 246.9 °C at 760 mmHg
Molecular Weight 259.925 Flash Point 80.8 °C
Transport Information N/A Appearance clear colorless to yellow liquid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 22262-60-8 (METHYL 3-BROMO-2-(BROMOMETHYL)PROPIONATE) Hazard Symbols IrritantXi
Synonyms

Propionicacid, 3-bromo-2-(bromomethyl)-, methyl ester (8CI);3-Bromo-2-bromomethylpropionic acid methyl ester;Methyl3-bromo-2-(bromomethyl)propanoate;Methyl b,b'-dibromoisobutyrate;NSC 620109;Methyl 3-bromo-2-(bromomethyl)propionate;

Article Data 8

Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester Specification

The Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester, with CAS registry number 22262-60-8, belongs to the following product categories: (1)C2 to C5; (2)Carbonyl Compounds; (3)Esters. It has the systematic name of methyl 3-bromo-2-(bromomethyl)propanoate. This chemical is a kind of clear colorless to yellow liquid. And the chemical formula of this chemical is C5H8Br2O2.

Physical properties of Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.59; (6)ACD/BCF (pH 7.4): 41.59; (7)ACD/KOC (pH 5.5): 501.77; (8)ACD/KOC (pH 7.4): 501.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 42.41 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 16.81×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.839 g/cm3; (19)Flash Point: 80.8 °C; (20)Enthalpy of Vaporization: 48.41 kJ/mol; (21)Boiling Point: 246.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0264 mmHg at 25°C.

Preparation: this chemical can be prepared by methanol and b,b'-dibromo-isobutyric acid. This reaction will need reagent H2SO4 and solvent 1,2-dichloro-ethane.

Uses of Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester: it can be used to produce methyl 2-(bromomethyl)acrylate. This reaction will need reagent iPr2NEt.

When you are using this chemical, please be cautious about it as the following:
The Propanoic acid,3-bromo-2-(bromomethyl)-, methyl ester irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(C(=O)OC)CBr
(2)InChI: InChI=1/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3
(3)InChIKey: USXVPPOARMSYGY-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3
(5)Std. InChIKey: USXVPPOARMSYGY-UHFFFAOYSA-N

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