2-(4-Chlorophenyl)-3-methylbutanenitrile

Catalog No: FT-0694403

CAS No: 2012-81-9

Chemical Name: 2-(4-Chlorophenyl)-3-methylbutanenitrile
Molecular Formula: C11H12ClN
Molecular Weight: 193.67
InChI Key: RBGSZIRWNWQDOK-UHFFFAOYSA-N
InChI: InChI=1S/C11H12ClN/c1-8(2)11(7-13)9-3-5-10(12)6-4-9/h3-6,8,11H,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

Melting_Point:	N/A
CAS:	2012-81-9
MF:	C11H12ClN
Flash_Point:	107.2ºC
Product_Name:	2-(4-chlorophenyl)-3-methylbutanenitrile
Density:	1.086g/cm3
FW:	193.67300
Bolling_Point:	286.1ºC at 760mmHg

Refractive_Index:	1.529
Vapor_Pressure:	0.00526mmHg at 25°C
Flash_Point:	107.2ºC
LogP:	3.60318
Bolling_Point:	286.1ºC at 760mmHg
FW:	193.67300
PSA:	23.79000
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :195 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C11H12ClN
Exact_Mass:	193.06600
Density:	1.086g/cm3
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）122～126℃/667pa ', '6 . Boiling point（ºC，2mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,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 Insoluble in Water ']

Risk_Statements(EU):	R36/37/38:Irritating to eyes, respiratory system and skin . R42:May cause sensitization by inhalation. R43:May cause sensitization by skin contact. R42/43:May cause sensitization by inhalation and skin contact .
WGK_Germany:	2
RTECS:	XM9410000
Hazard_Codes:	Xn,Xi
HS_Code:	2926909090
Safety_Statements:	S26-S36/37