3-iodo-4-methylbenzonitrile

Catalog No: FT-0741331

CAS No: 42872-79-7

Chemical Name: 3-iodo-4-methylbenzonitrile
Molecular Formula: C8H6IN
Molecular Weight: 243.04
InChI Key: YGXPQBKQVKASBM-UHFFFAOYSA-N
InChI: InChI=1S/C8H6IN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,1H3

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

CAS:	42872-79-7
MF:	C8H6IN
Density:	1.789g/cm3
Flash_Point:	128.768ºC
Melting_Point:	55-58ºC(lit.)
Product_Name:	3-Iodo-4-methylbenzonitrile
Symbol:	GHS07
Bolling_Point:	289.306ºC at 760 mmHg
FW:	243.04400

MF:	C8H6IN
Density:	1.789g/cm3
Computational_Chemistry:	['1. XlogP :27 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :158 ', '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']
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）55-58 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	242.95400
Flash_Point:	128.768ºC
PSA:	23.79000
Molecular_Structure:	['1 . Molar refractive index 4886 ', '2 . Molar volume 1358 ', '3 . Parachor （902K）3652 ', '4 . Surface tension 522 ', '5 . Polarizability 1937 ', '6 . Dielectric constant 未确定']
LogP:	2.47128
Bolling_Point:	289.306ºC at 760 mmHg
FW:	243.04400
Refractive_Index:	1.639
Melting_Point:	55-58ºC(lit.)

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Symbol:	GHS07
Safety_Statements:	36/37
Warning_Statement:	P305 + P351 + P338
Hazard_Codes:	Xn
HS_Code:	2926909090
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	R22