Chemical Name: N-(4-Nitrobenzoyl)-beta-alanine
Molecular Formula: C10H10N2O5
Molecular Weight: 238.20
InChI Key: PDTLZWITKYGYDN-UHFFFAOYSA-N
InChI: InChI=1S/C10H10N2O5/c13-9(14)5-6-11-10(15)7-1-3-8(4-2-7)12(16)17/h1-4H,5-6H2,(H,11,15)(H,13,14)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	3-[(4-nitrobenzoyl)amino]propanoic acid
Bolling_Point:	533.8ºC at 760 mmHg
Density:	1.407 g/cm3
MF:	C10H10N2O5
CAS:	59642-21-6
Melting_Point:	157-160 °C(lit.)
Flash_Point:	276.6ºC
FW:	238.19700

MF:	C10H10N2O5
Bolling_Point:	533.8ºC at 760 mmHg
Exact_Mass:	238.05900
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/cm3 ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）157-160 ', '5 . Boiling point（ºC，08mmHg）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index（°）Unknow ', '8 . Flash point（℉）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 （25℃）Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility (mg/mL，)Water Unknow']
Melting_Point:	157-160 °C(lit.)
PSA:	112.22000
Flash_Point:	276.6ºC
Computational_Chemistry:	['1. XlogP :05 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :2 ', '6. TPSA 112 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :304 ', '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']
Density:	1.407 g/cm3
Molecular_Structure:	['1 . Molar refractive index 5725 ', '2 . Molar volume （m3/mol）1692 ', '3 . Parachor （902K）4772 ', '4 . Surface tension 632 ', '5 . Polarizability 2269']
FW:	238.19700
LogP:	1.71340

Risk_Statements(EU):	R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R65:Harmful: May cause lung damage if swallowed.
Hazard_Codes:	F,Xn
HS_Code:	2922499990
Hazard_Class:	3
Packing_Group:	II
WGK_Germany:	3
Safety_Statements:	S16-S26-S36-S62
RIDADR:	UN 3295 3/PG 2