Product Name

  • Name

    2,5-Dichlorothiophene-3-sulfonamide

  • EINECS
  • CAS No. 53595-68-9
  • Article Data2
  • CAS DataBase
  • Density 1.761 g/cm3
  • Solubility
  • Melting Point 131-135 °C(lit.)
  • Formula C4H3Cl2NO2S2
  • Boiling Point 386.6 °C at 760 mmHg
  • Molecular Weight 232.1081
  • Flash Point 187.6 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 22-26-36/37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 53595-68-9 (2,5-Dichlorothiophene-3-sulfonamide)
  • Hazard Symbols HarmfulXn
  • Synonyms 2,5-Dichloro-3-thiophenesulfonamide;
  • PSA 96.78000
  • LogP 3.48340

2,5-dichlorothiophene-3-sulfonamide Specification

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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