(3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol

Catalog No: FT-0773947

CAS No: 171916-75-9

Chemical Name: (3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Molecular Formula: C9H12BrN3O3
Molecular Weight: 290.11 g/mol
InChI Key: PRQOGQGZCPGPSH-OSMVPFSASA-N
InChI: InChI=1S/C9H12BrN3O3/c1-9(2)15-7-4(10)3-5(12-13-11)6(14)8(7)16-9/h3,5-8,14H,1-2H3/t5-,6+,7+,8-/m0/s1

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:	171916-75-9
MF:	C9H12BrN3O3
Density:	N/A
Flash_Point:	N/A
Melting_Point:	116-118ºC(lit.)
Product_Name:	(3aS,4R,5S,7aS)-5-azido-7-bromo-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
Symbol:	GHS07
Bolling_Point:	N/A
FW:	290.11400

PSA:	88.44000
MF:	C9H12BrN3O3
LogP:	1.29146
Computational_Chemistry:	['1. XlogP :16 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :5 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 53 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :378 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :4 ', '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 Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）1160-1180 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）[α]25/D +24°, c = 1 in chloroform ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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 Unknow']
Exact_Mass:	289.00600
FW:	290.11400
Melting_Point:	116-118ºC(lit.)