3-METHYLBENZYL ISOCYANATE

Catalog No: FT-0640794

CAS No: 61924-25-2

Chemical Name: 3-METHYLBENZYL ISOCYANATE
Molecular Formula: C9H9NO
Molecular Weight: 147.17
InChI Key: JCUQBSLBFAVVOS-UHFFFAOYSA-N
InChI: InChI=1S/C9H9NO/c1-8-3-2-4-9(5-8)6-10-7-11/h2-5H,6H2,1H3

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:	GHS07
CAS:	61924-25-2
Flash_Point:	64.4±22.6 °C
Product_Name:	3-Methylbenzyl isocyanate
Bolling_Point:	220.3±19.0 °C at 760 mmHg
FW:	147.174
Melting_Point:	N/A
MF:	C9H9NO
Density:	1.0±0.1 g/cm3

Refractive_Index:	1.515
Vapor_Pressure:	0.1±0.4 mmHg at 25°C
Flash_Point:	64.4±22.6 °C
LogP:	3.07
Bolling_Point:	220.3±19.0 °C at 760 mmHg
PSA:	29.43000
Molecular_Structure:	['1 . Molar refractive index 4519 ', '2 . Molar volume （m3/mol）1499 ', '3 . Parachor （902K）3649 ', '4 . Surface tension 351 ', '5 . Polarizability 1791']
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 :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :161 ', '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']
MF:	C9H9NO
Exact_Mass:	147.068420
FW:	147.174
Density:	1.0±0.1 g/cm3
More_Info:	['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）1052 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）34-36/01 mmHg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1523 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']

Symbol:	GHS07
Risk_Statements(EU):	R20/21/22
HS_Code:	2929109000
WGK_Germany:	3
Personal_Protective_Equipment:	Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
RIDADR:	UN 2206 6.1/PG 3
Hazard_Codes:	Xn
Warning_Statement:	P261-P280-P305 + P351 + P338
Safety_Statements:	H302-H312-H315-H319-H332-H335