FT-0611926 CAS:18967-44-7 chemical structure

2-CHLOROBENZYL ISOTHIOCYANATE

Name: 2-CHLOROBENZYL ISOTHIOCYANATE
Rating: 4.5 (11 reviews)

Catalog No: FT-0611926

CAS No: 18967-44-7

Molecular Formula: 183.66
Formula Weight: C8H6ClNS
Inchl Key: RMVDNJDSLXQPAV-UHFFFAOYSA-N
Inchl: InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

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

Flash_Point:	137-138°C/6mm
FW:	183.65800
Bolling_Point:	138 °C
Product_Name:	1-chloro-2-(isothiocyanatomethyl)benzene
CAS:	18967-44-7
MF:	C8H6ClNS
Melting_Point:	N/A
Density:	1,26 g/cm3

PSA:	44.45000
Bolling_Point:	138 °C
Molecular_Structure:	['1 . Molar refractive index 5184 ', '2 . Molar volume （m3/mol）1554 ', '3 . Parachor （902K）3858 ', '4 . Surface tension 379 ', '5 . Polarizability 2055']
LogP:	2.94280
More_Info:	['1 . Appearance 不确定 ', '2 . Density（g/mL,25/4℃）126 ', '3 . Relative vapor density（g/mL,Atmosphere =1）不确定 ', '4 . Melting point（ºC）不确定 ', '5 . Boiling point（ºC,Atmospheric pressure）138 ', '6 . Boiling point（ºC, 52kPa）不确定 ', '7 . Refractive index16140 ', '8 . Flash point（ºC,6mmHg）137-138 ', '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']
MF:	C8H6ClNS
Computational_Chemistry:	['1 . XlogP 39 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . TPSA 124 ', '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']
Refractive_Index:	1.6140
Flash_Point:	137-138°C/6mm
FW:	183.65800
Exact_Mass:	182.99100
Vapor_Pressure:	0.0071mmHg at 25°C
Density:	1,26 g/cm3

Hazard_Codes:	T: Toxic;
RTECS:	NX8460000
RIDADR:	2810
Packing_Group:	II
HS_Code:	2930909090
Hazard_Class:	6.1
Safety_Statements:	S26-S36/37/39
Risk_Statements(EU):	R20/21/22;R36/37/38