FT-0612951 CAS:23695-15-0 chemical structure

2-METHYL-3-NITROPHENYL ISOCYANATE

Name: 2-METHYL-3-NITROPHENYL ISOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0612951

CAS No: 23695-15-0

Molecular Formula: 178.14
Formula Weight: C8H6N2O3
Inchl Key: NSEABHDWHUBNCA-UHFFFAOYSA-N
Inchl: InChI=1S/C8H6N2O3/c1-6-7(9-5-11)3-2-4-8(6)10(12)13/h2-4H,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:	1-Isocyanato-2-methyl-3-nitrobenzene
Flash_Point:	122.2ºC
Melting_Point:	36-39ºC
FW:	178.14500
Density:	1.27g/cm3
CAS:	23695-15-0
Bolling_Point:	118ºC(2.8 torr)
MF:	C8H6N2O3

Molecular_Structure:	['1 . Molar refractive index 4624 ', '2 . Molar volume （m3/mol）1393 ', '3 . Parachor （902K）3717 ', '4 . Surface tension 507 ', '5 . Polarizability （10 -24cm 3）1833']
Flash_Point:	122.2ºC
Refractive_Index:	1.578
FW:	178.14500
Density:	1.27g/cm3
Bolling_Point:	118ºC(2.8 torr)
Computational_Chemistry:	['1. XlogP :29 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 752 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :242 ', '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']
LogP:	2.39370
Melting_Point:	36-39ºC
PSA:	75.25000
MF:	C8H6N2O3
More_Info:	['1 . Appearance 浅棕色Solid ，刺激性气味 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）34-37 ', '5 . Boiling point（ºC,28mmhg）118 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）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 Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.00425mmHg at 25°C
Exact_Mass:	178.03800

Hazard_Codes:	Xn: Harmful;
Risk_Statements(EU):	R20/21/22;R36/37/38;R42
Packing_Group:	III
Hazard_Class:	6.1
RIDADR:	UN 2206
HS_Code:	2929109000
Safety_Statements:	S22-S26-S36/37/39-S45