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CAS No.: | 19021-35-3 |
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Name: | 4-amino-3-chloro-N,N-dimethyl-benzenesulfonamide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H11ClN2O2S |
Molecular Weight: | 234.7031 |
Synonyms: | Sulfanilamide,3-chloro-N1,N1-dimethyl- (6CI,7CI,8CI);4-amino-3-chloro-N,N-dimethylbenzenesulfonamide;benzenesulfonamide, 4-amino-3-chloro-N,N-dimethyl-; |
Density: | 1.387 g/cm3 |
Melting Point: | 174-175℃ |
Boiling Point: | 372.3 °C at 760 mmHg |
Flash Point: | 178.9 °C |
PSA: | 71.78000 |
LogP: | 2.83450 |
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The Benzenesulfonamide,4-amino-3-chloro-N,N-dimethyl-, with the CAS registry number 19021-35-3, has the systematic name and IUPAC name of 4-amino-3-chloro-N,N-dimethylbenzenesulfonamide. And the molecular formula of this chemical is C8H11ClN2O2S.
The physical properties of Benzenesulfonamide,4-amino-3-chloro-N,N-dimethyl- are as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 49 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 57.15 cm3; (9)Molar Volume: 169.2 cm3; (10)Polarizability: 22.65×10-24cm3; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.387 g/cm3; (13)Flash Point: 178.9 °C; (14)Enthalpy of Vaporization: 61.94 kJ/mol; (15)Boiling Point: 372.3 °C at 760 mmHg; (16)Vapour Pressure: 9.73E-06 mmHg at 25°C.
Preparation of Benzenesulfonamide,4-amino-3-chloro-N,N-dimethyl-: This chemical can be prepared by acetic formic anhydride and 1-Amino-2-chlor-benzol-4-sulfonsaeure-dimethylamid. The reaction will need solvent tetrahydrofuran. The reaction time is 2 hours with temperature of 25°C, and the yield is about 99%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(ccc1N)S(=O)(=O)N(C)C
(2)InChI: InChI=1/C8H11ClN2O2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,10H2,1-2H3
(3)InChIKey: DQGWARKSLZMCJF-UHFFFAOYAB
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 4100mg/kg (4100mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Arzneimittel-Forschung. Drug Research. Vol. 28, Pg. 1331, 1978. |