4-hydroxy-3-nitrobenzoic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

Measurement of chymotrypsin standard. Organic Synthesis.

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