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CAS No.: | 654-62-6 |
---|---|
Name: | 4-Amino-6-(trifluoromethyl)benzene-1,3-disulfonamide |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C7H8 F3 N3 O4 S2 |
Molecular Weight: | 319.285 |
Synonyms: | Toluene-2,4-disulfonamide,5-amino-a,a,a-trifluoro- (6CI,7CI,8CI); 2,4-Disulfamoyl-5-trifluoromethylaniline;4-Amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide;5-Trifluoromethyl-2,4-disulfamoylaniline; NSC 44625 |
EINECS: | 211-506-8 |
Density: | 1.743g/cm3 |
Melting Point: | 241-246 ºC |
Boiling Point: | 562.8°C at 760 mmHg |
Flash Point: | 294.2°C |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | S26;S36 |
PSA: | 163.10000 |
LogP: | 3.72580 |
bendroflumethiazide
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
Conditions | Yield |
---|---|
With sodium hydroxide In water reflux, 2 h; room temperature, 20 h; | 68% |
5-Amino-α.α.α-trifluor-toluol-2.4-disulfonsaeuredichlorid
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
Conditions | Yield |
---|---|
With ammonia |
2-amino-4-trifluoromethyl-benzenesulfonic acid
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
Conditions | Yield |
---|---|
(i) ClSO3H, (heating), (ii) SOCl2, (iii) aq. NH3; Multistep reaction; |
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
BARBITURIC ACID
orthoformic acid triethyl ester
4-(trifluoromethyl)-6-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzene-1,3-disulfonamide
Conditions | Yield |
---|---|
In iso-butanol for 3h; Reflux; | 96% |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 20℃; for 24h; | 93% |
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
2-(2-oxoethyl)benzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 20℃; | 91% |
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
N-tert-butyloxycarbonylpiperidin-4-one
spiro[2H-1,2,4-benzothiadiazine-7-(aminosulfonyl)-6-(trifluoromethyl)-1,1-dioxide-3(4H),4'-piperidine]-1'-carboxylic acid 1,1-dimethylethyl ester
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide for 5 - 7h; Heating / reflux; | 91% |
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
2-benzoylbenzaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 20℃; for 24h; | 90% |
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
4,5-dimethoxy-phthalaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 20℃; for 24h; | 86% |
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide
4,6-dihydroxy-2-mercaptopyrimidine
orthoformic acid triethyl ester
4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-(trifluoromethyl)benzene-1,3-disulfonamide
Conditions | Yield |
---|---|
In iso-butanol for 3h; Reflux; | 85% |
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The Molecular Structure of 1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) (CAS NO.654-62-6):
Empirical Formula: C7H8F3N3O4S2
Molecular Weight: 319.2813
IUPAC Name: 4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide
Nominal Mass: 319 Da
Average Mass: 319.2813 Da
Monoisotopic Mass: 318.99083 Da
Index of Refraction: 1.571
Molar Refractivity: 60.23 cm3
Molar Volume: 183.1 cm3
Surface Tension: 60.4 dyne/cm
Density: 1.743 g/cm3
Flash Point: 294.2 °C
Enthalpy of Vaporization: 84.59 kJ/mol
Boiling Point: 562.8 °C at 760 mmHg
Vapour Pressure: 1.09E-12 mmHg at 25°C
InChI
InChI=1/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
Smiles
S(c1cc(S(=O)(=O)N)c(cc1N)C(F)(F)F)(=O)(=O)N
1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) (CAS NO.654-62-6) can be used as intermediate of benzyl fluoride hydrochlorothiazide.
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) (CAS NO.654-62-6) is also called as 2,4-Disulfamyl-5-trifluoromethylaniline ; 5-Amino-alpha,alpha,alpha-trifluorotoluene-2,4-disulfonamide ; 5-Amino-alpha,alpha,alpha-trifluorotoluene-2,4-disulphonamide .