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| CAS No.: | 19947-39-8 |
|---|---|
| Name: | 3-AMINO-3-(4-CHLOROPHENYL)PROPIONIC ACID |
| Article Data: | 1 |
| Molecular Structure: | |
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|
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| Formula: | > C9H10 Cl N O2 |
| Molecular Weight: | 199.637 |
| Synonyms: | 3-Amino-3-(4-chlorophenyl)propionicacid;NSC 400947; |
| EINECS: | -0 |
| Density: | 1.333 g/cm3 |
| Melting Point: | 223 °C (dec.)(lit.) |
| Boiling Point: | 345.8 °C at 760 mmHg |
| Flash Point: | 162.9 °C |
| Solubility: | Very soluble in water |
| Appearance: | White crystals. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 63.32000 |
| LogP: | 2.51480 |
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Specification
3-Amino-3-(4-chlorophenyl)propanoic acid , with the CAS registry number 19947-39-8, is also known to us as BUTTPARK 94\04-04 ,DL-3-AMINO-3-(4'-CHLOROPHENYL)PROPIONIC ACID ,and DL-3-AMINO-3-(4-CHLORO-PHENYL)-PROPIONIC ACID , etc.
As for the physical properties, it has the molar refractivity of 50.43 cm3 and the molar volume of 149.7 cm3. Besides, its enthalpy of vaporization is 62.25 kJ/mol and the vapour pressure is 2.29E-05 mmHg at 25°C. This kind of chemical is a off-white powder and is soluble in water. It belongs to the product categories of aromatic propionic acids, API intermediates,C9,Carbonyl Compounds,Carboxylic Acids,and B-Amino.
Being a kind of irritant chemical to eyes, skin and respiratory system, it may cause inflammation to the skin or other mucous membranes. So remember to avoid contacting with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
And you could convert the following data into the molecular strucure:
SMILES:
Clc1ccc(cc1)C(N)CC(=O)O
InChI:
InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)