2-Isocyanatobutane

Catalog No: FT-0678560

CAS No: 15585-98-5

Chemical Name: 2-Isocyanatobutane
Molecular Formula: C5H9NO
Molecular Weight: 99.13
InChI Key: DUUSMHZSZWMNCB-UHFFFAOYSA-N
InChI: InChI=1S/C5H9NO/c1-3-5(2)6-4-7/h5H,3H2,1-2H3

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:	Danger
FW:	99.13110
Density:	0.864 g/mL at 25ºC(lit.)
CAS:	15585-98-5
Bolling_Point:	101ºC(lit.)
Product_Name:	2-Isocyanatobutane
Melting_Point:	N/A
Flash_Point:	38 °F
MF:	C5H9NO

Molecular_Structure:	['1 . Molar refractive index 2911 ', '2 . Molar volume 1127 ', '3 . Parachor （902K）2577 ', '4 . Surface tension 272 ', '5 . Polarizability 1154 ', '6 . Dielectric constant 未确定']
LogP:	1.12070
Flash_Point:	38 °F
Refractive_Index:	n20/D 1.4(lit.)
FW:	99.13110
Density:	0.864 g/mL at 25ºC(lit.)
Bolling_Point:	101ºC(lit.)
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 294 ', '7. Heavy Atom Count :7 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :841 ', '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']
PSA:	29.43000
MF:	C5H9NO
More_Info:	['1 . Appearance 浅Yellow Liquid ', '2 . Density（g/mL,25℃）0864 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）101 ', '6 . Boiling point（ºC,04Pa）Unknow ', '7 . Refractive indexn20/D 14 ', '8 . Flash point（ºC）3，33 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）187 psi ', '12 . Saturated vapor pressure（hPa,55ºC）3，9 ', '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']
Vapor_Pressure:	30.4mmHg at 25°C
Exact_Mass:	99.06840

Personal_Protective_Equipment:	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard_Codes:	F: Flammable;T+: Very toxic;
Risk_Statements(EU):	R11
Safety_Statements:	S16
Symbol:	Danger
Warning_Statement:	P210-P260-P280-P284-P305 + P351 + P338-P310
Supplementary_Hazard_Statement:	Reacts violently with water.
RIDADR:	UN 3383 6.1/PG 1
HS_Code:	2929109000