5-TERT-BUTYLISOPHTHALIC ACID

Catalog No: FT-0620782

CAS No: 2359-09-3

Molecular Formula: 222.24
Formula Weight: C12H14O4
Inchl Key: BJLUCDZIWWSFIB-UHFFFAOYSA-N
Inchl: InChI=1S/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)

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:	400.0±42.0 °C at 760 mmHg
CAS:	2359-09-3
MF:	C12H14O4
Melting_Point:	>300 °C(lit.)
Symbol:	Warning
Density:	1.2±0.1 g/cm3
FW:	222.237
Product_Name:	5-tert-Butylisophthalic Acid
Flash_Point:	209.8±24.4 °C

Bolling_Point:	400.0±42.0 °C at 760 mmHg
Vapor_Pressure:	0.0±1.0 mmHg at 25°C
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/L,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>300 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 2mmHg）Unknow ', '7 . Refractive index（nD20）Unknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
LogP:	3.35
Density:	1.2±0.1 g/cm3
Computational_Chemistry:	['1 计. XlogP 26 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count ', '6 . TPSA 746 ', '7 . Heavy Atom Count 16 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 268 ', '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:	>300 °C(lit.)
Exact_Mass:	222.089203
MF:	C12H14O4
Refractive_Index:	1.559
PSA:	74.60000
Flash_Point:	209.8±24.4 °C
Molecular_Structure:	['1 . Molar refractive index 5850 ', '2 . Molar volume （m3/mol）1811 ', '3 . Parachor （902K）4795 ', '4 . Surface tension 490 ', '5 . Polarizability （10 -24cm 3）2319']
FW:	222.237

WGK_Germany:	3
Symbol:	Warning
HS_Code:	2917399090
Safety_Statements:	S26-S37/39
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Warning_Statement:	P261-P305 + P351 + P338
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	36/37/38
Hazard_Codes:	Xi: Irritant;