Epoxy curing agent Knowledge o-Carboxymethylthiobenzoic acid

o-Carboxymethylthiobenzoic acid

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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

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