Toluene diisocyanate manufacturer Knowledge 2-Methyl-5-nitrobenzenesulfonyl chloride 2-Methyl-5-nitrobenzenesulfonyl chloride

2-Methyl-5-nitrobenzenesulfonyl chloride 2-Methyl-5-nitrobenzenesulfonyl chloride

2-Methyl-5-nitrobenzenesulfonyl chloride structural formula

Structural formula

Business number 03D6
Molecular formula C7H6ClNO4S
Molecular weight 235.64
label

4-nitrotoluen-2-sulfochlorid,

4-nitrotoluen-2-sulfonylchlorid,

5-nitro-o-toluenesulfonylchlorid,

2-Methyl-5-nitrobenzenesulfonyl chloride,

Heterocyclic compounds

Numbering system

CAS number:121-02-8

MDL number:MFCD00051695

EINECS number:204-444-8

RTECS number:XT8000000

BRN number:2697079

PubChem ID:None

Physical property data

1. Melting point ():43-45

Toxicological data

1, acute toxicity: Rat Oral LD507470mg/kg

Ecological data

None

Molecular structure data


5. Molecular property data:


1. Molar refractive index:51.05


2. Molar Volumem3/mol)154.2


3. Isotonic specific volume90.2K417.5


4. Surface tensiondyne/cm53.7


5. Dielectric constant:


6. Dipole moment10-24cm3


7. Polarizability:20.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 88.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 318

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

left; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” align=left>5. Dielectric constant:


6. Dipole moment10-24cm3


7. Polarizability:20.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 88.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 318

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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