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| CAS No.: | 51329-15-8 |
|---|---|
| Name: | METHYL 3,5-DIBROMOBENZOATE |
| Article Data: | 23 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6Br2O2 |
| Molecular Weight: | 293.942 |
| Synonyms: | 3,5-Dibromobenzoic acid methyl ester; |
| EINECS: | -0 |
| Density: | 1.84 g/cm3 |
| Melting Point: | 64-65 °C |
| Boiling Point: | 294.2 °C at 760 mmHg |
| Flash Point: | 131.8 °C |
| Appearance: | white solid. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.99820 |
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Chemistry
Molecular Structure of Methyl 3,5-dibromobenzoate (51329-15-8):
IUPAC Name: Methyl 3,5-dibromobenzoate
Molecular Formula: C8H6Br2O2
Molecular Weight: 293.94004 g/mol
XLogP3: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: COC(=O)C1=CC(=CC(=C1)Br)Br
InChI: InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey: GSMAWUZTAIOCPL-UHFFFAOYSA-N
Index of Refraction: 1.583
Molar Refractivity: 53.4 cm3
Molar Volume: 159.6 cm3
Surface Tension: 44.7 dyne/cm
Density: 1.84 g/cm3
Flash Point: 131.8 °C
Melting Point: 64-65 °C
Boiling Point: 294.2 °C at 760 mmHg
Enthalpy of Vaporization: 53.39 kJ/mol
Vapour Pressure: 0.00164 mmHg at 25 °C
Water Solubility: 11.04 mg/L at 25 °C
BRN: 2255855
Safety Profile
Safety Information of Methyl 3,5-dibromobenzoate (51329-15-8):
Hazard Codes: Xi .gif){kind=small}
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
Specification
Methyl 3,5-dibromobenzoate (51329-15-8) is also known as 3,5-Dibromobenzoic acid methyl ester ; Methyl 3,5-dibromobenzoate, 98+% .