structural formula
| business number | 01vu |
|---|---|
| molecular formula | c10h7clo2s |
| molecular weight | 226.68 |
| label |
1-naphthalenesulfonyl chloride, α-naphthalenesulfonyl chloride, naphthalene-1-sulfonyl chloride, 1-naphthalenesulfonyl chloride |
numbering system
cas number:85-46-1
mdl number:mfcd00003984
einecs number:201-609-6
rtecs number:none
brn number:2099333
pubchem number:24886003
physical property data
1. characteristics: colorless flaky crystals, sensitive to moisture
2. density (g/ml ,25/4℃)：1.527
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc):68
5. boiling point (ºc,normal pressure):194- 195ºc,1.73 kpa)
6. boiling point (ºc,5.2 kpa): undetermined
7. refractive index: undetermined
8. flash point (ºc):151.7
9. specific optical rotation (º ): undetermined
10. autoignition point or ignition temperature (ºc): 584
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (explosion upper limit (%,v/v): undetermined
18. lower explosion limit (%, v/v): undetermined
19. solubility: easily soluble in ethanol, ether and benzene, insoluble in water
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 57.95
2. molar volume (m3/mol）：160.2
3. isotonic specific volume (90.2k):427.0
4. surface tension (dyne/cm):50.5
5. polarizability（10-24cm3):22.97
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.2
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 42.5
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 294
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
colorless flaky crystals. sensitive to moisture. easily soluble in ethanol, ether and benzene, insoluble in water. melting point68℃. boiling point194～195℃（1.73kpa). corrosive.
storage method
stored sealed in a cool and dry place.
synthesis method
none yet
purpose
determination of primary and secondary amines. organic synthesis.
; text-align: left; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; mso-list: l0 level2 lfo1; tab-stops: list 36.0pt” align=left>4. surface tension (dyne /cm):50.5
5. polarizability（10-24cm3):22.97
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 3.2
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 1
5. number of tautomers: none
6. topological molecule polar surface area 42.5
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 294
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
colorless flaky crystals. sensitive to moisture. easily soluble in ethanol, ether and benzene, insoluble in water. melting point68℃. boiling point194～195℃（1.73kpa). corrosive.
storage method
stored sealed in a cool and dry place.
synthesis method
none yet
purpose
determination of primary and secondary amines. organic synthesis.
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