Methyl 4-isocyanatobenzoate

Catalog No: FT-0678561

CAS No: 23138-53-6

Chemical Name: Methyl 4-isocyanatobenzoate
Molecular Formula: C9H7NO3
Molecular Weight: 177.16
InChI Key: FQDDBYGPHUUTRN-UHFFFAOYSA-N
InChI: InChI=1S/C9H7NO3/c1-13-9(12)7-2-4-8(5-3-7)10-6-11/h2-5H,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

Product_Name:	methyl 4-isocyanatobenzoate
Bolling_Point:	264.9ºC at 760mmHg
MF:	C9H7NO3
Symbol:	GHS07, GHS08
Melting_Point:	50-52ºC(lit.)
CAS:	23138-53-6
Density:	1.15g/cm3
FW:	177.15700
Flash_Point:	123.2ºC

MF:	C9H7NO3
Bolling_Point:	264.9ºC at 760mmHg
Exact_Mass:	177.04300
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mLat 20°C）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）50-52 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,2mmHg）Unknow ', '7 . Refractive index（n20/D）Unknow ', '8 . Flash point（ºC）110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,37ºC）Unknow ', '12 . Saturated vapor pressure（kPa,1144 ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（MPa）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']
Melting_Point:	50-52ºC(lit.)
PSA:	55.73000
Flash_Point:	123.2ºC
Refractive_Index:	1.528
Density:	1.15g/cm3
Molecular_Structure:	['分子性质数据 ', '1 . Molar refractive index 4743 ', '2 . Molar volume （m3/mol）1538 ', '3 . Parachor （902K）3897 ', '4 . Surface tension 412 ', '5 . Dielectric constant ', '6 偶极距（10 -24cm 3） ', '7 . Polarizability 1880']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :225 ', '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']
FW:	177.15700
LogP:	1.44050
Vapor_Pressure:	0.00943mmHg at 25°C

Risk_Statements(EU):	R20/21/22;R36/37/38
Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Safety_Statements:	H302-H312-H315-H319-H332-H334-H335
HS_Code:	2929109000
Warning_Statement:	P261-P280-P305 + P351 + P338-P342 + P311
RIDADR:	UN 3335
Symbol:	GHS07, GHS08
Hazard_Codes:	Xn: Harmful;