FT-0617880 CAS:4897-84-1 chemical structure

Methyl 4-bromobutyrate

Name: Methyl 4-bromobutyrate
Rating: 4.5 (11 reviews)

Catalog No: FT-0617880

CAS No: 4897-84-1

Molecular Formula: 181.03
Formula Weight: C5H9BrO2
Inchl Key: QAWFLJGZSZIZHO-UHFFFAOYSA-N
Inchl: InChI=1S/C5H9BrO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	186.5±0.0 °C at 760 mmHg
MF:	C5H9BrO2
Density:	1.4±0.1 g/cm3
FW:	181.028
Product_Name:	Methyl 4-bromobutanoate
CAS:	4897-84-1
Flash_Point:	87.0±13.0 °C
Melting_Point:	N/A

Bolling_Point:	186.5±0.0 °C at 760 mmHg
LogP:	1.47
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density144 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC）186-187 ', '6 . Boiling point（ºC,12mmHg）不确定 ', '7 . Refractive index（nD20）不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º, C=025, MeOH）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 263 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :728 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Vapor_Pressure:	0.7±0.3 mmHg at 25°C
Exact_Mass:	179.978592
MF:	C5H9BrO2
Density:	1.4±0.1 g/cm3
Refractive_Index:	1.456
Water_Solubility:	insoluble
PSA:	26.30000
Flash_Point:	87.0±13.0 °C
Molecular_Structure:	['1 . Molar refractive index 3471 ', '2 . Molar volume （m3/mol）1277 ', '3 . Parachor （902K）3079 ', '4 . Surface tension 337 ', '5 . Polarizability （10 -24cm 3）1376']
FW:	181.028