Chlorinated hydroquinone
Structural formula
| Business number | 06GM |
|---|---|
| Molecular formula | C6H5CIO2 |
| Molecular weight | 144.56 |
| label |
2-Chlorohydroquinone, 2-Chloro-1,4-dihydroxybenzene, 2-Chloro-1,4-dihydroxybenzene, ClC6H3-1,4-(OH)2 |
Numbering system
CAS number:615-67-8
MDL number:MFCD00002341
EINECS number:210-442-8
RTECS number:MX4800000
BRN number:636835
PubChem number:24853419
Physical property data
3. Boiling point (ºC): 263 4. Toxicity: Moderately toxic
Physical property data:
1. Character:White or slightly yellow crystal
2. Melting point (℃ ):106
Toxicological data
None
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:34.91 2, Molar volume (m3/mol): 98.2 3, Isotonic specific volume (90.2K ):273.1 4, Surface tension (dyne/ cm):59.7 5、 Polarizability (10-24cm3): 13.83
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: 0
5. Number of tautomers: 7
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 97.1
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
1. Basic properties
White or Light yellow crystal. Easily soluble in water and ethanol, slightly soluble in ether and hot chloroform. Melting point 106℃. Boiling point263℃. Moderately toxic, LD50 (rat, oral) 200mg/kg.
Storage method
2. Storage
Keep sealed.
Synthesis method
None
Purpose
3. Purpose
Used for Organic Synthesis. Developer. Fungicides.