Methyl 2,5-Dibromopentanoate supplier

Name
Methyl 2,5-Dibromopentanoate
EINECS
CAS No. 50995-48-7
Article Data8
CAS DataBase
Density 1.736 g/cm³
Solubility
Melting Point
Formula C₆H₁₀Br₂O₂
Boiling Point 249.016 °C at 760 mmHg
Molecular Weight 273.952
Flash Point 104.401 °C
Transport Information
Appearance Pale yellow solid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
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;
PSA 26.30000
LogP 2.09800

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 .

Product Name

Methyl 2,5-Dibromopentanoate

Methyl 2,5-Dibromopentanoate Specification

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