ETHYL 6-ISOCYANATOHEXANOATE

Catalog No: FT-0626147

CAS No: 5100-36-7

Chemical Name: ETHYL 6-ISOCYANATOHEXANOATE
Molecular Formula: C9H15NO3
Molecular Weight: 185.22 g/mol
InChI Key: ZCLBSYCOBSMTMV-UHFFFAOYSA-N
InChI: InChI=1S/C9H15NO3/c1-2-13-9(12)6-4-3-5-7-10-8-11/h2-7H2,1H3

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:	Warning
FW:	185.22000
Density:	1.032
CAS:	5100-36-7
Bolling_Point:	253ºC
Product_Name:	ethyl 6-isocyanatohexanoate
Melting_Point:	N/A
Flash_Point:	>230 °F
MF:	C9H15NO3

Molecular_Structure:	['1 . Molar refractive index 4998 ', '2 . Molar volume （m3/mol）1823 ', '3 . Parachor （902K）4445 ', '4 . Surface tension 353 ', '5 . Polarizability （10 -24cm 3）1981']
LogP:	1.44570
Flash_Point:	>230 °F
Refractive_Index:	n20/D 1.439(lit.)
FW:	185.22000
Density:	1.032
Bolling_Point:	253ºC
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :8 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :185 ', '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']
PSA:	55.73000
MF:	C9H15NO3
More_Info:	['1 . Appearance Colourless Liquid ', '2 . Density（g/mL ,25℃） 1032 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）253 ', '6 . Boiling point（ºC, 4mmHg）不确定 ', '7 . Refractive index（nD20）1439 ', '8 . Flash point（°F）>230 ', '9 . Specific rotation（º, C=1, Water ）不确定 ', '10 . Spontaneous ignition point or ignition temperature（ºC）不确定 ', '11 . Vapor pressure（kPa,25ºC）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']
Exact_Mass:	185.10500

Hazard_Codes:	Xn
Symbol:	Warning
Packing_Group:	III
Hazard_Class:	6.1
Warning_Statement:	P280-P305 + P351 + P338
HS_Code:	2929109000
Personal_Protective_Equipment:	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Risk_Statements(EU):	R20/22;R36/37/38;R42
Safety_Statements:	S23-S26-S36/37/39-S45
RIDADR:	UN 2206