Butanoic acid,2,4-dibromo-,methyl ester supplier

Name
METHYL 2,4-DIBROMOBUTYRATE
EINECS
CAS No. 29547-04-4
Article Data22
CAS DataBase
Density 1.839 g/cm³
Solubility
Melting Point
Formula C₅H₈Br₂O₂
Boiling Point 236.9 °C at 760 mmHg
Molecular Weight 259.925
Flash Point 97.1 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Nsc167181;Methyl 2,4-dibromobutanoate;Butanoic acid,2,4-dibromo-methyl ester;
PSA 26.30000
LogP 1.70790

Butanoic acid,2,4-dibromo-,methyl ester Specification

The Butanoic acid,2,4-dibromo-,methyl ester has CAS registry number 29547-04-4. The molecular formula of this chemical is C₅H₈Br₂O₂ and its molecular weight is 259.92. What's more, its IUPAC name is Methyl 2,4-dibromobutanoate. In addition, it must be stored at 2-8 °C.

Physical properties about Butanoic acid,2,4-dibromo-,methyl ester are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 26.3 Å²; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 42.41 cm³; (9)Molar Volume: 141.2 cm³; (10)Polarizability: 16.81×10^-24 cm³; (11)Surface Tension: 40.9 dyne/cm; (12)Density: 1.839 g/cm³; (13)Flash Point: 97.1 °C; (14)Enthalpy of Vaporization: 47.37 kJ/mol; (15)Boiling Point: 236.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0463 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of 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: BrC(C(=O)OC)CCBr
(2) InChI: InChI=1/C5H8Br2O2/c1-9-5(8)4(7)2-3-6/h4H,2-3H2,1H3
(3) InChIKey: DQHIGEQXJBMKKY-UHFFFAOYAW

Product Name

METHYL 2,4-DIBROMOBUTYRATE

Butanoic acid,2,4-dibromo-,methyl ester Specification

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