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Methyl 2,5-Dibromopentanoate

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Name

Methyl 2,5-Dibromopentanoate

EINECS N/A
CAS No. 50995-48-7 Density 1.736 g/cm3
PSA 26.30000 LogP 2.09800
Solubility N/A Melting Point N/A
Formula C6H10Br2O2 Boiling Point 249.016 °C at 760 mmHg
Molecular Weight 273.952 Flash Point 104.401 °C
Transport Information N/A Appearance Pale yellow solid
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 50995-48-7 (Methyl 2,5-Dibromopentanoate) Hazard Symbols N/A
Synonyms

Valericacid, 2,5-dibromo-, methyl ester (7CI);2,5-Dibromopentanoic acid methyl ester;2,5-Dibromovaleric acid methyl ester;Methyl 2,5-dibromopentanoate;Methyl2,5-dibromovalerate;Methyl a,d-dibromovalerate;

Article Data 8

Methyl 2,5-Dibromopentanoate Specification

The cas register number of Methyl 2,5-Dibromopentanoate is 50995-48-7. It also can be called as pentanoic acid, 2,5-dibromo-, methyl ester and the Systematic name about this chemical is methyl 2,5-dibromopentanoate.

Physical properties about 2-[2-[(3-Aminobenzoyl)amino]ethylsulfonyl]ethyl hydrogen sulfate are: (1)ACD/LogP: 2.29 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2 ; (4)ACD/LogD (pH 7.4): 2 ; (5)ACD/BCF (pH 5.5): 44; (6)ACD/BCF (pH 7.4): 44; (7)ACD/KOC (pH 5.5): 521; (8)ACD/KOC (pH 7.4): 521; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 47.043 cm3; (15)Molar Volume: 157.798 cm3; (16)Surface Tension: 40.167 dyne/cm; (17)Density: 1.736 g/cm3; (18)Flash Point: 104.401 °C; (19)Enthalpy of Vaporization: 48.623 kJ/mol; (20)Boiling Point: 249.016 °C at 760 mmHg; (21)Vapour Pressure: 0.023 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If people in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: BrCCCC(Br)C(=O)OC
2.InChI: InChI=1/C6H10Br2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4H2,1H3 
3.InChIKey: YVHCGWPKBSEBTH-UHFFFAOYAS
4.Std. InChI: InChI=1S/C6H10Br2O2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4H2,1H3 .

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