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Fast Red ITR

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Fast Red ITR

EINECS 202-575-5
CAS No. 97-35-8 Density 1.205 g/cm3
Solubility insoluble in water, soluble in hydrochloric acid and sulfuric acid Melting Point 102-105 °C
Formula C11H18N2O3S Boiling Point 410.6 °C at 760 mmHg
Molecular Weight 258.34 Flash Point 202.1 °C
Transport Information Appearance White uniform powder
Safety Risk Codes
Molecular Structure Molecular Structure of 97-35-8 (Benzenesulfonamide,3-amino-N,N-diethyl-4-methoxy-) Hazard Symbols
Synonyms

3-Amino-1-[(diethylamino)sulfonyl]-4-methoxybenzene;3-Amino-N,N-diethyl-4-methoxybenzenesulfonamide;Brentamine Fast Red ITR Base;C.I. 37150;Fast Red ITR Base;NSC 50670;Orle Base Fast Red ITR;Red ITR base;2-Methoxy-5-(diethylaminosulfonyl)aniline;Metanilamide,N1,N1-diethyl-4-methoxy- (6CI,7CI,8CI);2-Methoxy-5-(N,N-diethyl)sulfanilamide-aniline;

 

Fast Red ITR Specification

The Fast Red ITR is an organic compound with the formula C11H18N2O3S. The systematic name of this chemical is 3-amino-N,N-diethyl-4-methoxybenzenesulfonamide. With the CAS registry number 97-35-8 and EINECS 202-575-5, it is also named as 2-Methoxy-5-(diethylsulfamoyl)aniline. The product's category is Pharmaceutical Intermediates. It is white uniform powder which is insoluble in water, soluble in hydrochloric acid and sulfuric acid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 10.44; (6)ACD/BCF (pH 7.4): 10.49; (7)ACD/KOC (pH 5.5): 186.22; (8)ACD/KOC (pH 7.4): 187.19; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 58.23 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 67.95 cm3; (15)Molar Volume: 214.2 cm3; (16)Polarizability: 26.93×10-24 cm3; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 202.1 °C; (20)Enthalpy of Vaporization: 66.29 kJ/mol; (21)Boiling Point: 410.6 °C at 760 mmHg ; (22)Vapour Pressure: 5.96E-07 mmHg at 25°C.

Preparation of Fast Red ITR: Using amino pheylmethyl ether as raw material. First, carrying on acylation with acetic anhydride, chlorosulfonation with chlorosulfonic acid and condensation with diethyl amine. And then, hydrolyzed with sodium hydroxide to get the product.

Uses of Fast Red ITR: It is mainly used for dyeing and printing of cotton and viscose fabric. It is also used in the manufacture of organic pigments. What's more, it can be used for dyeing cotton fibre.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=S(=O)(c1ccc(OC)c(N)c1)N(CC)CC
2. InChI:InChI=1/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
3. InChIKey:WBGVVXSCGNGJFL-UHFFFAOYAJ

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