Piperonylonitrile

Catalog No: FT-0614107

CAS No: 4421-09-4

Molecular Formula: 147.13
Formula Weight: C8H5NO2
Inchl Key: PKRWWZCDLJSJIF-UHFFFAOYSA-N
Inchl: InChI=1S/C8H5NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,5H2

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

Bolling_Point:	257.3±29.0 °C at 760 mmHg
CAS:	4421-09-4
MF:	C8H5NO2
Melting_Point:	91-93 °C(lit.)
Symbol:	Warning
Density:	1.3±0.1 g/cm3
FW:	147.131
Product_Name:	Piperonylonitrile
Flash_Point:	115.4±17.5 °C

Bolling_Point:	257.3±29.0 °C at 760 mmHg
LogP:	1.88
More_Info:	['1 . Appearance 灰White Solid ', '2 . Density（g/mL ,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）91-93 ', '5 . Boiling point（ºC）不确定 ', '6 . Boiling point（ºC,01mmHg）不确定 ', '7 . Refractive index不确定 ', '8 . Flash point（ºC）不确定 ', '9 . Specific rotation（º）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 蒸汽压（20ºC）不确定 ', '12 . Saturated vapor pressure（kPa,60ºC）不确定 ', '13 . Combustion heat（KJ/mol）不确定 ', '14 . Critical temperature（ºC）不确定 ', '15 . Critical pressure（KPa）不确定 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 不确定 ', '17 . Upper limit of explosion（%,V/V）不确定 ', '18 . Lower limit of explosion（%,V/V）不确定 ', '19 . Solubility 不确定']
Computational_Chemistry:	['1 . XlogP 13 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 0 ', '5 . TPSA 423 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 196 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Melting_Point:	91-93 °C(lit.)
Vapor_Pressure:	0.0±0.5 mmHg at 25°C
Exact_Mass:	147.032028
MF:	C8H5NO2
Density:	1.3±0.1 g/cm3
Refractive_Index:	1.597
PSA:	42.25000
Flash_Point:	115.4±17.5 °C
Molecular_Structure:	['1 . Molar refractive index 3737 ', '2 . Molar volume 1096 ', '3 . Parachor （902K）3007 ', '4 . Surface tension 564 ', '5 . Polarizability 1481']
FW:	147.131

Safety_Statements:	H302 + H312 + H332
RIDADR:	3276
WGK_Germany:	3
Hazard_Codes:	Xn:Harmful;
RTECS:	TO2645000
HS_Code:	2932999099
Risk_Statements(EU):	R20/21
Symbol:	Warning
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
Hazard_Class:	6.1
Packing_Group:	III
Warning_Statement:	P280