FT-0615417 CAS:5162-82-3 chemical structure

3-Chloro-4-methylbenzoic acid

Name: 3-Chloro-4-methylbenzoic acid
Rating: 4.5 (11 reviews)

Catalog No: FT-0615417

CAS No: 5162-82-3

Molecular Formula: 169.58
Formula Weight: C8H6ClO2-
Inchl Key: SDKUOEOJAXGCLU-UHFFFAOYSA-M
Inchl: InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)/p-1

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

Melting_Point:	208 °C
CAS:	5162-82-3
MF:	C8H7ClO2
Flash_Point:	138.0±22.3 °C
Product_Name:	3-Chloro-4-methylbenzoic acid
Density:	1.3±0.1 g/cm3
FW:	170.593
Bolling_Point:	304.5±22.0 °C at 760 mmHg

Refractive_Index:	1.573
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Flash_Point:	138.0±22.3 °C
LogP:	3.36
Bolling_Point:	304.5±22.0 °C at 760 mmHg
PSA:	37.30000
Molecular_Structure:	['1 . Molar refractive index 4290 ', '2 . Molar volume （m3/mol）1301 ', '3 . Parachor （902K）3429 ', '4 . Surface tension 481 ', '5 . Polarizability （10 -24cm 3）1700']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :3 ', '6. TPSA 373 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :158 ', '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']
Melting_Point:	208 °C
MF:	C8H7ClO2
Exact_Mass:	170.013458
FW:	170.593
Density:	1.3±0.1 g/cm3
More_Info:	['1 . Appearance Solid ', '2 . Density不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）208 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling point（ºC,15mmHg）不确定 ', '7 . Refractive index（nD20）不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）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']