FT-0618932 CAS:3662-78-0 chemical structure

4-METHOXYCARBONYLPHENYL ISOTHIOCYANATE

Name: 4-METHOXYCARBONYLPHENYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0618932

CAS No: 3662-78-0

Molecular Formula: 193.22
Formula Weight: C9H7NO2S
Inchl Key: WIZODHILGBTPPA-UHFFFAOYSA-N
Inchl: InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	46 °C
CAS:	3662-78-0
MF:	C9H7NO2S
Flash_Point:	143.9ºC
Product_Name:	4-methoxycarbonylphenyl isothiocyanate
Density:	1.16g/cm3
FW:	193.22200
Bolling_Point:	314.3ºC at 760mmHg

Refractive_Index:	1.566
Flash_Point:	143.9ºC
LogP:	2.20750
Bolling_Point:	314.3ºC at 760mmHg
PSA:	70.75000
Molecular_Structure:	['分子性质数据 ', '1 . Molar refractive index 5390 ', '2 . Molar volume （m3/mol）1652 ', '3 . Parachor （902K）4129 ', '4 . Surface tension 390 ', '5 . Polarizability （10 -24cm 3）2137']
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 708 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :228 ', '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']
Melting_Point:	46 °C
MF:	C9H7NO2S
Exact_Mass:	193.02000
FW:	193.22200
Density:	1.16g/cm3
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）不确定 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting pointmp（ºC）46-50 ', '5 . Boiling point（ºC,Atmospheric pressure）不确定 ', '6 . Boiling pointbp（ºC, 50mm ）不确定 ', '7 . Refractive index不确定 ', '8 . Flash pointfp（ºC）不确定 ', '9 . Specific rotation（º）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']

Hazard_Class:	6.1
Risk_Statements(EU):	R20/21/22;R36/37/38
RIDADR:	2811
Hazard_Codes:	T: Toxic;
HS_Code:	2930909090
Safety_Statements:	S26-S36/37/39
Packing_Group:	III