FT-0608829 CAS:3288-04-8 chemical structure

2-METHOXYPHENYL ISOTHIOCYANATE

Catalog No: FT-0608829

CAS No: 3288-04-8

Molecular Formula: 165.21
Formula Weight: C8H7NOS
Inchl Key: QKAOOWJWWKWWOZ-UHFFFAOYSA-N
Inchl: InChI=1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/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

Bolling_Point:	264-266 °C
CAS:	3288-04-8
MF:	C8H7NOS
Melting_Point:	N/A
Symbol:	Danger
Density:	1.19
FW:	165.21200
Product_Name:	1-isothiocyanato-2-methoxybenzene
Flash_Point:	>110°C

Bolling_Point:	264-266 °C
LogP:	2.42950
More_Info:	['1 . Appearance 不确定 ', '2 . Densityd（g/mL,25/4℃）1196 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 4 . Melting point mp （ ºC ）不确定 5 . Boiling point（ ºC, Atmospheric pressure） 267 ', '6 . Boiling pointbp（ºC, 4mm ）不确定 ', '7 . Refractive index16443 ', '8 . Flash pointfp（ºC）>110 ', '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']
Computational_Chemistry:	['1 . XlogP 31 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 216 ', '6 . Heavy Atom Count 11 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 166 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
Exact_Mass:	165.02500
MF:	C8H7NOS
Density:	1.19
Refractive_Index:	1.6433-1.6453
PSA:	53.68000
Flash_Point:	>110°C
Molecular_Structure:	['1 . Molar refractive index 4844 ', '2 . Molar volume （m3/mol）1517 ', '3 . Parachor （902K）3686 ', '4 . Surface tension :348 ', '5 . Polarizability 1920']
FW:	165.21200

Safety_Statements:	H314-H335
RIDADR:	2922
Hazard_Codes:	T: Toxic;C: Corrosive;
HS_Code:	2930909090
Risk_Statements(EU):	36/37/38-23/24/25-34
Symbol:	Danger
Personal_Protective_Equipment:	Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard_Class:	8
Packing_Group:	III
Warning_Statement:	P261-P280-P305 + P351 + P338-P310