3,4-Dichloroaniline-6-sulfonic acid

Catalog No: FT-0636100

CAS No: 6331-96-0

Chemical Name: 3,4-Dichloroaniline-6-sulfonic acid
Molecular Formula: C6H5Cl2NO3S
Molecular Weight: 242.08
InChI Key: AKLDPNVZTZIVFA-UHFFFAOYSA-N
InChI: InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)

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

Melting_Point:	8-10 °C(lit.)
CAS:	6331-96-0
MF:	C6H5Cl2NO3S
Flash_Point:	270 °F
Product_Name:	2-Amino-4,5-dichlorobenzenesulfonic acid
Density:	1.7±0.1 g/cm3
FW:	242.080
Bolling_Point:	270 °C(lit.)

Vapor_Density:	7.4 (vs air)
Flash_Point:	270 °F
LogP:	2.29
Bolling_Point:	270 °C(lit.)
FW:	242.080
PSA:	88.77000
Refractive_Index:	1.648
Computational_Chemistry:	['1 . XlogP 18 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 804 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 276 ', '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']
Melting_Point:	8-10 °C(lit.)
MF:	C6H5Cl2NO3S
Exact_Mass:	240.936722
Molecular_Structure:	['五分子性质数据 ', '1 . Molar refractive index 5037 ', '2 . Molar volume （m3/mol）1383 ', '3 . Parachor （902K）4024 ', '4 . Surface tension 715 ', '5 . Polarizability 1997']
Density:	1.7±0.1 g/cm3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL, 25 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，11mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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']