Toluene diisocyanate manufacturer Knowledge o-Carboxymethylthiobenzoic acid

o-Carboxymethylthiobenzoic acid

O-carboxymethylthiobenzoic acid structural formula

Structural formula

Business number 03PZ
Molecular formula C9H8O4S
Molecular weight 212.22
label

2-Carboxymethylthiobenzoic acid,

2-(Carboxymethylthio)benzoic acid,

2-(carboxymethylmercapto)benzoic acid,

aromatic compounds

Numbering system

CAS number:135-13-7

MDL number:MFCD00021761

EINECS number:205-178-5

RTECS number:DG4975500

BRN number:None

PubChem ID:None

Physical property data

None

Toxicological data

Acute toxicity data


Mouse abdominal cavity LD50250mg/kg


Mouse vein LD50180mg/kg


Ecological data

None

Molecular structure data

Molecular property data:


1 Molar refractive index51.95


2 Molar volumem3/mol):142.4


3 Isotonic specific volume90.2K):418.7


4 Surface tension3.0 dyne/cm SPAN>):74.7


5 Polarizability 0.5 10-24cm3): 20.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 99.9

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 229

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

Storage method

None

Synthesis method

None

Purpose

None

Arial; mso-fareast-font-family: Arial; mso-font-kerning: 0pt”>、 Polarizability(0.5 10-24cm3):20.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 99.9

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 229

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

Storage method

None

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27565

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