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| CAS No.: | 97-35-8 |
|---|---|
| Name: | Fast Red ITR |
| Article Data: | 6 |
| Molecular Structure: | |
|
|
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| Formula: | C11H18N2O3S |
| Molecular Weight: | 258.342 |
| 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; |
| EINECS: | 202-575-5 |
| Density: | 1.205 g/cm3 |
| Melting Point: | 102-105 °C |
| Boiling Point: | 410.6 °C at 760 mmHg |
| Flash Point: | 202.1 °C |
| Solubility: | insoluble in water, soluble in hydrochloric acid and sulfuric acid |
| Appearance: | White uniform powder |
| Hazard Symbols: |
 F, T, N
|
| Risk Codes: | R45; R11; R23/24/25; R37/38; R41; R43; R51/53 |
| PSA: | 81.01000 |
| LogP: | 2.96990 |
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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