3-indole acetate
Structural formula
| Business number | 06A3 |
|---|---|
| Molecular formula | C10H9NO2 |
| Molecular weight | 175.18 |
| label |
indole acetate, Indoxyl hydrochloride, 3-Indoxyl acetate, β-indolizine acetate, Hydroxyindole acetate, Acetic acid oxidizes indole, Indoxyl acetate, Indoxyl acetate |
Numbering system
CAS number:608-08-2
MDL number:MFCD00014561
EINECS number:210-154-2
RTECS number:AI3325000
BRN number:143086
PubChem number:24896038
Physical property data
1. Physical property data
Melting point :128-131°C
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data:
1, Molar refractive index:49.86
2, Molar volume (m3/mol):139.5
3, Isotonic specific volume (90.2K ):372.2
4, Surface tension (dyne/ cm):50.6
5、 Polarizability (10-24cm3): 19.76
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 42.1
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 205
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
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret device, Store in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet
2,3,4,5,6-pentafluorobenzyl alcohol
Structural formula
| Business number | 04U0 |
|---|---|
| Molecular formula | C7H3F5O |
| Molecular weight | 198 |
| label |
None yet |
Numbering system
CAS number:440-60-8
MDL number:MFCD00004602
EINECS number:207-126-7
RTECS number:DP0695000
BRN number:2052669
PubChem number:24851790
Physical property data
一 , physical property data
Traits ：White solid
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 37-38
Boiling point (ºC, normal pressure): 114-115
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): 87
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Properties: Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:32.67
2、 Molar volume（m3/mol)：124.2
3、 Isotonic specific volume (90.2K):296.4
4、 Surface tension（dyne/cm)：32.3
5、 Polarizability(10-24cm3）：12.95
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.5
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 162
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 yet
Storage method
None yet
Synthesis method
The preparation method is 2,3,4,5,6-pentafluorobenzoic acid on a Zn electrode in 5% H2 The product is obtained by fluidized bed electrolysis in SO4 solution.
Purpose
Intermediates for pharmaceuticals, pesticides, and liquid crystal materials.
6-Chloro-7-methylpurine
Structural formula
| Business number | 04TZ |
|---|---|
| Molecular formula | C21H26Cl2F3N3S |
| Molecular weight | 480.42 |
| label |
10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine dihydrochloride, Trifluoperazine hydrochloride, strizine, Trifluorazine dihydrochloride, LABOTEST-BB LT00452002, 10-[3-(4-METHYL-1-PIPERAZINYL)PROPYL]-2-TRIFLUOROMETHYL-PHENOTHIAZINE DIHYDROCHLORIDE, 10-[3-(4-METHYLPIPERAZIN-1-YL)PROPYL]-2-(TRIFLUOROMETHYL)-10H-PHENOTHIAZINE DIHYDROCHLORIDE, STELAZINE, STELAZINE DIHYDROCHLORIDE, TRIFLUOPERAZINE 2H |
Numbering system
CAS number:440-17-5
MDL number:MFCD00012656
EINECS number:207-123-0
RTECS number:SP1750000
BRN number:3820024
PubChem number:24900344
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 243
Boiling point (ºC, normal pressure): Not available
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Dissolve Properties: Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1、 Molar refractive index:109.46
2、 Molar volume（m3/mol)：312.9
3、 Isotonic specific volume (90.2K):835.4
4、 Surface tension（dyne/cm)：50.7
5、 Polarizability(10-24cm3)：43.39
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 35
7. Number of heavy atoms: 30
8. Surface charge: 0
9. Complexity: 510
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: 3
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
For the treatment of paranoid schizophrenia, chronic schizophrenia, mental unrest, emotional disorders, nausea, vomiting, etc.
5-methoxytryptamine
Structural formula
| Business number | 06A1 |
|---|---|
| Molecular formula | C11H14N2O |
| Molecular weight | 190.24 |
| label |
None yet |
Numbering system
CAS number:608-07-1
MDL number:MFCD00005662
EINECS number:210-153-7
RTECS number:NL4059000
BRN number:145587
PubChem number:24857245
Physical property data
1. Physical property data
Melting point :121-123°C
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular properties��Data:
1, Molar refractive index:58.29
2, Molar volume (m3/mol):162.3
3, Isotonic specific volume (90.2K ):433.0
4, Surface tension (dyne/ cm):50.5
5、 Polarizability (10 -24cm3):23.10
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 51
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 186
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
Properties and stability:
No decomposition products may occur under normal temperatures and pressures.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
None yet
Purpose
None yet