Structural formula
| Business number | 06HP |
|---|---|
| Molecular formula | C7H5NO5 |
| Molecular weight | 183.12 |
| label |
3-nitro-4-hydroxybenzoic acid, HOC6H3(NO2)CO2H |
Numbering system
CAS number:616-82-0
MDL number:MFCD00007119
EINECS number:210-494-1
RTECS number:None
BRN number:2213134
PubChem number:24853695
Physical property data
Physical property data:
1. Characteristics: This product is yellow crystal.
2. Melting point (℃):228
Toxicological data
None yet
Ecological data
3. Ecological data:
1Other harmful effects: This substance may be harmful to the environment, special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data: 1, Molar refractive index:41.61 2, Molar volume (m3/mol):112.2 3, Isotonic specific volume (90.2K ):339.8 4, Surface tension (dyne/ cm):84.1 5、 Polarizability (10-24cm3): 16.49
Compute chemical data
4. Calculated chemical data:
1. Hydrophobic parameter calculation reference value (XlogP ): 2
2. Number of hydrogen bond donors:2
3. Number of hydrogen bond acceptors:5
4. Number of rotatable chemical bonds:1
5. Topological molecule polar surface area (TPSA ): 101
6. Number of heavy atoms:13
7. Surface charge: 0
8. Complexity:223
9. Isotope atoms Quantity: 0
10. Determine atoms Number of stereocenters:0
11. Uncertain number of atomic stereocenters:0
12. Determine chemical bonds Number of stereocenters:0
13. Not sure Number of stereocenters of chemical bonds:0
14. Covalent Number of key units:1
Properties and stability
1. Basic properties
Irritating to eyes, respiratory system, and skin.
Storage method
2. Storage
Should be sealed in0℃Save.
Synthesis method
None yet
Purpose
3. Purpose
Measurement of chymotrypsin standard. Organic Synthesis.
