CAS No.22262-60-8,METHYL 3-BROMO-2-(BROMOMETHYL)PROPIONATE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	22262-60-8
Name:	METHYL 3-BROMO-2-(BROMOMETHYL)PROPIONATE
Article Data:	8

Formula:	C₅H₈Br₂O₂
Molecular Weight:	259.925
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;
Density:	1.839g/cm³
Boiling Point:	246.9 °C at 760 mmHg
Flash Point:	80.8 °C
Appearance:	clear colorless to yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.30000
LogP:	1.56540

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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