Molecular Formula: 219.24
Formula Weight: C12H13NO3
Inchl Key: PVCGQSQNUXNTNA-UHFFFAOYSA-N
Inchl: InChI=1S/C12H13NO3/c1-2-3-8-16-12(15)10-4-6-11(7-5-10)13-9-14/h4-7H,2-3,8H2,1H3

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

Product_Name:	butyl 4-isocyanatobenzoate
Flash_Point:	133ºC
Melting_Point:	N/A
FW:	219.23700
Density:	1.105
CAS:	102561-47-7
Bolling_Point:	312.6ºC at 760mmHg
MF:	C12H13NO3

Molecular_Structure:	['1. Molar refractive index 6126 ', '2. Molar volume 2021 ', '3. Parachor （902K）5056 ', '4. Surface tension 391 ', '5. Dielectric constant N/A ', '6. Polarizability 2428 ', '7. Single isotope mass 219089543 Da ', '8. Nominal mass 219 Da ', '9. Average mass 2192365 Da']
LogP:	2.61080
Flash_Point:	133ºC
Refractive_Index:	n20/D 1.526(lit.)
FW:	219.23700
Density:	1.105
Bolling_Point:	312.6ºC at 760mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :263 ', '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']
PSA:	55.73000
MF:	C12H13NO3
More_Info:	['1 . Appearance Colourless 刺激Liquid ', '2 . Density（g/mL,25℃）1105 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）295 ', '6 . Boiling point（ºC，3mmHg）Unknow ', '7 . Refractive index(n20/D)1526 ', '8 . Flash point（ºC）113 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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 可Water 解的']
Vapor_Pressure:	0.000524mmHg at 25°C
Exact_Mass:	219.09000

Hazard_Codes:	Xn: Harmful;
Risk_Statements(EU):	R20/22;R36/37/38;R42
Packing_Group:	III
Hazard_Class:	6.1
RIDADR:	UN 2206 6.1/PG 3
HS_Code:	2929109000
Safety_Statements:	S23-S26-S36/37/39-S45