Isophthalic acid

Catalog No: FT-0627450

CAS No: 121-91-5

Molecular Formula: 166.13
Formula Weight: C8H6O4
Inchl Key: QQVIHTHCMHWDBS-UHFFFAOYSA-N
Inchl: InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

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

FW:	166.131
MF:	C8H6O4
Water_Solubility:	0.01 g/100 mL (25 ºC)
Flash_Point:	217.3±20.5 °C
Refractive_Index:	1.618
Bolling_Point:	412.3±28.0 °C at 760 mmHg
Exact_Mass:	166.026611
PSA:	74.60000
Computational_Chemistry:	['1 . XlogP 17 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 746 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 179 ', '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:	0.0±1.0 mmHg at 25°C
LogP:	1.66
Melting_Point:	341-343 °C(lit.)
Density:	1.5±0.1 g/cm3
More_Info:	['1 . Appearance White 结晶粉末or 粉末结晶 ', '2 . Melting point（ºC）348 ', '3 . Solubility 易Soluble in Ethanol 丙酮and 冰醋酸，微Soluble in 沸Water ，难Soluble in 冷Water ，几乎Insoluble in 苯and 石油醚。 ', '4 气相标准. Combustion heat(焓)(kJ·mol-1)-33091 ', '5 气相标准声称热(焓)( kJ·mol-1) -6962 ', '6 晶相相标准. Combustion heat(焓)(kJ·mol-1)-32026 ', '7 晶相标准声称热(焓)( kJ·mol-1)-80299']

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RTECS:	NT2007000
HS_Code:	29173980
Safety_Statements:	S24/25-S36-S26
WGK_Germany:	2
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R36/37/38
Hazard_Codes:	Xi:Irritant