Trichlorothiazide

Trichlorothiazide structural formula

Structural formula

Business number 03P6
Molecular formula C8H8Cl3N3O4S2
Molecular weight 380.66
label

aromatic compounds

Numbering system

CAS number:133-67-5

MDL number:MFCD00057315

EINECS number:205-118-8

RTECS number:DK8925000

BRN number:None

PubChem number:24899924

Physical property data

None yet

Toxicological data

Acute toxicity data:

Men’s oral TDLo: 3320 ug/kg/7W-I

Rat’s oral LD50: 5600mg/kg

Rat intravenous LD50: 920mg/kg

Mouse oral LD50: 2600mg/kg

Mouse intraperitoneal LD50: 540mg/kg

Mouse intravenous LD50 : 750mg/kg

Other multiple dose data:

Mammalian dog TDLo: 182mg/kg/1Y-I

Mutagenicity data:

Rodent-hamster fibroblasts: 750mg/L

Rodent-hamster lung: 560mg/L

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 76.97

2. Molar volume (cm3/mol): 217.6

3. Isotonic specific volume (90.2K): 607.1

4. Surface tension (dyne/cm): 60.5

5. Polarizability (10-24cm3): 30.51

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 135

7. Number of heavy atoms: 20

8. Surface charge: 0

9. Complexity: 571

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27394

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