4-chloro-2-isocyanato-1-phenoxybenzene

Catalog No: FT-0717801

CAS No: 85385-33-7

Chemical Name: 4-chloro-2-isocyanato-1-phenoxybenzene
Molecular Formula: C13H8ClNO2
Molecular Weight: 245.66 g/mol
InChI Key: SCGXZJTXFUNGAL-UHFFFAOYSA-N
InChI: InChI=1S/C13H8ClNO2/c14-10-6-7-13(12(8-10)15-9-16)17-11-4-2-1-3-5-11/h1-8H

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:	85385-33-7
MF:	C13H8ClNO2
Density:	1.21g/cm3
Flash_Point:	>230 °F
Melting_Point:	43-47ºC(lit.)
Product_Name:	4-chloro-2-isocyanato-1-phenoxybenzene
Symbol:	GHS07, GHS08
Bolling_Point:	335.4ºC at 760 mmHg
FW:	245.66100

MF:	C13H8ClNO2
Density:	1.21g/cm3
Computational_Chemistry:	['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 387 ', '7. Heavy Atom Count :17 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :285 ', '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']
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）43-47 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC, KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）>110 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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:	245.02400
Flash_Point:	>230 °F
PSA:	38.66000
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 6725 ', '2 . Molar volume （m3/mol）2026 ', '3 . Parachor （902K）5201 ', '4 . Surface tension 433 ', '5 . Dielectric constant N/A ', '6 偶极距（10 -24cm 3）N/A ', '7 . Polarizability 2666']
LogP:	4.09960
Bolling_Point:	335.4ºC at 760 mmHg
FW:	245.66100
Refractive_Index:	1.577
Melting_Point:	43-47ºC(lit.)

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Symbol:	GHS07, GHS08
Safety_Statements:	22-26-36
Warning_Statement:	P261-P280-P305 + P351 + P338-P342 + P311
Hazard_Codes:	Xn
HS_Code:	2929109000
RIDADR:	NONH for all modes of transport
Risk_Statements(EU):	20/21/22-36/37/38-42