2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol

Catalog No: FT-0657697

CAS No: 125304-04-3

Chemical Name: 2-(2H-Benzothiazol-2-yl)-6-(dodecyl)-4-methylphenol
Molecular Formula: C37H59N3O
Molecular Weight: 561.9
InChI Key: KEGYWMCBTWLUME-UHFFFAOYSA-N
InChI: InChI=1S/C37H59N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-33-30-32(2)31-36(37(33)41)40-38-34-28-25-26-29-35(34)39-40/h25-26,28-31,41H,3-24,27H2,1-2H3

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:	GHS09
CAS:	125304-04-3
Flash_Point:	283.4±32.9 °C
Product_Name:	2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol
Bolling_Point:	545.1±60.0 °C at 760 mmHg
FW:	393.565
Melting_Point:	>350 °C(lit.)
MF:	C25H35N3O
Density:	1.1±0.1 g/cm3

Refractive_Index:	1.575
Vapor_Pressure:	0.0±1.5 mmHg at 25°C
Flash_Point:	283.4±32.9 °C
LogP:	10.60
Bolling_Point:	545.1±60.0 °C at 760 mmHg
PSA:	50.94000
Molecular_Structure:	['1. Molar refractive index 12066 ', '2. Molar volume 365 ', '3. Parachor （902K）9194 ', '4. Surface tension 402 ', '5. Dielectric constant N/A ', '6. Polarizability 4783 ', '7. Single isotope mass 393278013 Da ', '8. Nominal mass 393 Da ', '9. Average mass 3935649 Da']
Computational_Chemistry:	['1. XlogP :96 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :3 ', '6. TPSA 509 ', '7. Heavy Atom Count :29 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :432 ', '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']
Melting_Point:	>350 °C(lit.)
MF:	C25H35N3O
Exact_Mass:	393.278015
FW:	393.565
Density:	1.1±0.1 g/cm3
More_Info:	['1 . Appearance Liquid ', '2 . Density（g/mL,25ºC）0911 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）>350 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，17mmHg）Unknow ', '7 . Refractive indexn 20/D 1574(lit) ', '8 . Flash point（ºC）>110 ', '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,110ºC）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 Slightly soluble in Water 的']

Risk_Statements(EU):	R51/53
HS_Code:	2933990090
WGK_Germany:	2
RIDADR:	UN 3082 9/PG 3
Hazard_Codes:	N:Dangerousfortheenvironment;
Warning_Statement:	P273
Safety_Statements:	H411
Symbol:	GHS09