The 2,5-dichlorothiophene-3-sulfonamide is an organic compound with the formula C4H3Cl2NO2S2. The IUPAC name of this chemical is 2,5-dichlorothiophene-3-sulfonamide. With the CAS registry number 53595-68-9, it is also named as 3-Thiophenesulfonamide, 2,5-dichloro-. The product's categories are Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; ThiophenesBuilding Blocks. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about 2,5-dichlorothiophene-3-sulfonamide are: (1)ACD/LogP: 1.43; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 1.43; (4)ACD/BCF (pH 5.5): 7.23; (5)ACD/BCF (pH 7.4): 7.14; (6)ACD/KOC (pH 5.5): 143.34; (7)ACD/KOC (pH 7.4): 141.55; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74 Å2; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 46.98 cm3; (14)Molar Volume: 131.7 cm3; (15)Polarizability: 18.62×10-24cm3; (16)Surface Tension: 63.6 dyne/cm; (17)Density: 1.761 g/cm3; (18)Flash Point: 187.6 °C; (19)Enthalpy of Vaporization: 63.56 kJ/mol; (20)Boiling Point: 386.6 °C at 760 mmHg; (21)Vapour Pressure: 3.5E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sc(Cl)c(c1)S(=O)(=O)N
(2)InChI: InChI=1/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)
(3)InChIKey: BUQKISCVZMIFEF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H3Cl2NO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H,(H2,7,8,9)
(5)Std. InChIKey: BUQKISCVZMIFEF-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 175mg/kg (175mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Annales Pharmaceutiques Francaises. Vol. 19, Pg. 449, 1961. |
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