3-Trifluoromethylbenzylcyanide

Catalog No: FT-0613952

CAS No: 2338-76-3

Molecular Formula: 185.15
Formula Weight: C9H6F3N
Inchl Key: JOIYKSLWXLFGGR-UHFFFAOYSA-N
Inchl: InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2

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

Symbol:	GHS02, GHS07
CAS:	2338-76-3
Flash_Point:	48.9±0.0 °C
Product_Name:	3-(Trifluoromethyl)benzyl cyanide
Bolling_Point:	238.9±0.0 °C at 760 mmHg
FW:	185.146
Melting_Point:	N/A
MF:	C9H6F3N
Density:	1.2±0.1 g/cm3

Refractive_Index:	1.458
Vapor_Pressure:	0.0±0.4 mmHg at 25°C
Flash_Point:	48.9±0.0 °C
LogP:	2.02
Bolling_Point:	238.9±0.0 °C at 760 mmHg
PSA:	23.79000
Molecular_Structure:	['1 . Molar refractive index 4067 ', '2 . Molar volume （m3/mol）1491 ', '3 . Parachor （902K）13493 ', '4 . Surface tension 301 ', '5 . Polarizability （10 -24cm 3）1613']
Computational_Chemistry:	['1. XlogP :N/A ', '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 238 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :213 ', '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']
MF:	C9H6F3N
Exact_Mass:	185.045227
FW:	185.146
Density:	1.2±0.1 g/cm3
More_Info:	['1 . Appearance 灰Yellow Liquid ', '2 . Density（g/L,20ºC）1187 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）43-47 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 4mmHg）92-93 ', '7 . Refractive index（nD20）14565 ', '8 . Flash point（ºF）120 ', '9 . Specific rotation（）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）>100 ', '11 . Vapor pressure（Pa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,20ºC）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 不能拌and 的or 难以拌and ']

Symbol:	GHS02, GHS07
RIDADR:	UN 1993 3/PG 3
HS_Code:	2926909090
Packing_Group:	III
Hazard_Class:	3
Risk_Statements(EU):	R10;R20/21/22;R36/37/38
WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
RTECS:	CY1820000
Hazard_Codes:	Xn:Harmful;
Warning_Statement:	P261-P280-P305 + P351 + P338
Safety_Statements:	H226-H302 + H312 + H332-H315-H319-H335