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Name	1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI)	EINECS	211-506-8
CAS No.	654-62-6	Density	1.743g/cm³
PSA	163.10000	LogP	3.72580
Solubility	N/A	Melting Point	241-246 ºC
Formula	C7H8 F3 N3 O4 S2	Boiling Point	562.8°C at 760 mmHg
Molecular Weight	319.285	Flash Point	294.2°C
Transport Information	N/A	Appearance	N/A
Safety	S26;S36	Risk Codes	R36/37/38
Molecular Structure		Hazard Symbols
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	Article Data	17

1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) Synthetic route

: 73-48-3, 96782-95-5, 96782-96-6
bendroflumethiazide

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

Conditions

Conditions	Yield
With sodium hydroxide In water reflux, 2 h; room temperature, 20 h;	68%

: 1479-95-4
5-Amino-α.α.α-trifluor-toluol-2.4-disulfonsaeuredichlorid

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

Conditions

Conditions	Yield
With ammonia

: 1513-44-6
2-amino-4-trifluoromethyl-benzenesulfonic acid

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

Conditions

Conditions	Yield
(i) ClSO3H, (heating), (ii) SOCl2, (iii) aq. NH3; Multistep reaction;

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 67-52-7
BARBITURIC ACID

: 122-51-0
orthoformic acid triethyl ester

: 1345551-58-7
4-(trifluoromethyl)-6-{[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}benzene-1,3-disulfonamide

Conditions

Conditions	Yield
In iso-butanol for 3h; Reflux;	96%

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 643-79-8
o-phthalic dicarboxaldehyde

: 3-Sulfamoyl-2-trifluoromethyl-11H-isoindolo<1,2-c><1,2,4>benzothiadiazine 5,5-dioxide

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 20℃; for 24h;	93%

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 25705-34-4
2-(2-oxoethyl)benzaldehyde

: 8-sulfamoyl-9-trifluoromethyl-4b,5-dihydroisoquino<1,2-c><1,2,4>benzothiadiazine 6,6 dioxide

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 20℃;	91%

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 79099-07-3
N-tert-butyloxycarbonylpiperidin-4-one

: 907624-95-7
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

Conditions	Yield
In N,N-dimethyl-formamide for 5 - 7h; Heating / reflux;	91%

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 16780-82-8
2-benzoylbenzaldehyde

: 11-Phenyl-3-sulfamoyl-2-trifluoromethyl-11H-isoindolo<1,2-c><1,2,4>benzothiadiazine 5,5-dioxide

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 20℃; for 24h;	90%

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 43073-12-7
4,5-dimethoxy-phthalaldehyde

: 8,9-Dimethoxy-3-sulfamoyl-2-trifluoromethyl-11H-isoindolo<1,2-c><1,2,4>benzothiadiazine 5,5-dioxide

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 20℃; for 24h;	86%

: 654-62-6
4-amino-6-(trifluoromethyl)-1,3-benzenedisulfonamide

: 504-17-6
4,6-dihydroxy-2-mercaptopyrimidine

: 122-51-0
orthoformic acid triethyl ester

: 1345551-69-0
4-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-6-(trifluoromethyl)benzene-1,3-disulfonamide

Conditions

Conditions	Yield
In iso-butanol for 3h; Reflux;	85%

1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) Chemical Properties

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) Uses

1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) (CAS NO.654-62-6) can be used as intermediate of benzyl fluoride hydrochlorothiazide.

1,3-Benzenedisulfonamide,4-amino-6-(trifluoromethyl)-(9CI) Safety Profile

Hazard Codes: Irritant 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) Specification

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 .

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