
structural formula
| business number | 04j3 |
|---|---|
| molecular formula | c6h6fn |
| molecular weight | 111.12 |
| label |
1-amino-3-fluorobenzene, 1-amino-3-fluorobenzene, fc6h4nh2, aromatic fluoride |
numbering system
cas number:372-19-0
mdl number:mfcd00007758
einecs number:206-747-0
rtecs number:by1400000
brn number:1305471
pubchem number:24894850
physical property data
一 , physical property data
traits :yellow to brown liquid
density (g/ml,25/4℃): 1.156
relative vapor density (g/ml, air=1):not available
melting point (ºc): -2
boiling point (ºc, normal pressure): 186
boiling point (ºc, 5.2kpa): not available
refraction rate: 1.5440
flash point (ºc): 77
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:slightly soluble in water , soluble in ethanol and ether.
toxicological data
two , toxicological data:
acute toxicity:not available .
ecological data
three , ecological data:
1 , other harmful effects: the substances are harmful to the environment, and special attention should be paid to pollution of water bodies.
molecular structure data
1. molar refractive index:30.48
2. molar volume (m3/mol):95.9
3. isotonic specific volume (90.2k): 240.2
4. surface tension (dyne/cm): 39.3
5. polarizability(10-24cm 3):12.08
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: 0
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 74.9
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
none yet
purpose
medicine; pesticide; liquid crystal material intermediate.

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