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4,5-DIMETHOXY-2-NITROBENZONITRILE

Catalog No: FT-0642496

CAS No: 102714-71-6

Chemical Name: 4,5-DIMETHOXY-2-NITROBENZONITRILE
Molecular Formula: C9H8N2O4
Molecular Weight: 208.17
InChI Key: NQSQQGDTYKGCOT-UHFFFAOYSA-N
InChI: InChI=1S/C9H8N2O4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,1-2H3

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

Symbol:	Warning
FW:	208.171
Density:	1.3±0.1 g/cm3
CAS:	102714-71-6
Bolling_Point:	398.6±42.0 °C at 760 mmHg
Product_Name:	4,5-Dimethoxy-2-nitrobenzonitrile
Melting_Point:	164-168 °C(lit.)
Flash_Point:	194.9±27.9 °C
MF:	C9H8N2O4

Molecular_Structure:	['1. Molar refractive index 5008 ', '2. Molar volume 1567 ', '3. Parachor （902K）4273 ', '4. Surface tension 551 ', '5. Dielectric constant N/A ', '6. Polarizability 1985 ', '7. Single isotope mass 208048407 Da ', '8. Nominal mass 208 Da ', '9. Average mass 2081708 Da']
Flash_Point:	194.9±27.9 °C
Refractive_Index:	1.552
FW:	208.171
Density:	1.3±0.1 g/cm3
Bolling_Point:	398.6±42.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 881 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :280 ', '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:	1.72
Melting_Point:	164-168 °C(lit.)
PSA:	88.07000
MF:	C9H8N2O4
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）164-168 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，05mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '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 Unknow']
Vapor_Pressure:	0.0±0.9 mmHg at 25°C
Exact_Mass:	208.048401

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Codes:	Xn: Harmful;Xi: Irritant;
Risk_Statements(EU):	R20/21/22
Safety_Statements:	S26-S37/39
Symbol:	Warning
Warning_Statement:	P261-P280-P305 + P351 + P338
RIDADR:	NONH for all modes of transport
HS_Code:	2926909090
WGK_Germany:	3