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| CAS No.: | 7493-63-2 |
|---|---|
| Name: | ALLYL ANTHRANILATE |
| Molecular Structure: | |
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| Formula: | C10H11NO2 |
| Molecular Weight: | 177.203 |
| Synonyms: | Anthranilic acid, allyl ester (8CI);Allyl 2-aminobenzoate; |
| EINECS: | 231-331-0 |
| Density: | 1.123 g/cm3 |
| Melting Point: | 224-228 °C |
| Boiling Point: | 300.7 °C at 760 mmHg |
| Flash Point: | 156.1 °C |
| Solubility: | Insoluble in water |
| Appearance: | Clear golden liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 52.32000 |
| LogP: | 2.19280 |
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Specification
The Benzoic acid, 2-amino-,2-propen-1-yl ester, with the CAS registry number 7493-63-2, is also known as Allyl 2-aminobenzoate and Anthranilic acid, allyl ester (8CI). It belongs to the product categories of A-B; Alphabetical Listings; Flavors and Fragrances. Its EINECS registry number is 231-331-0. This chemical's molecular formula is C10H11NO2 and molecular weight is 177.2. What's more, both its IUPAC name and systematic name are the same which is called Prop-2-en-1-yl 2-aminobenzoate.
Physical properties about this chemical are: (1)ACD/LogP: 2.87; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.8; (6)ACD/BCF (pH 7.4): 88.8; (7)ACD/KOC (pH 5.5): 863.54; (8)ACD/KOC (pH 7.4): 863.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 51.25 cm3; (15)Molar Volume: 157.7 cm3; (16)Polarizability: 20.31×10-24 cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.123 g/cm3; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 54.08 kJ/mol; (21)Boiling Point: 300.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0011 mmHg at 25 °C; (23)Melting Point: 224-228 °C.
Preparation of Benzoic acid, 2-amino-,2-propen-1-yl ester: this chemical can be prepared by 2-Nitro-benzoic acid allyl ester.
This reaction needs reagents Fe, H2O. The yield is 76 %.
Uses of Benzoic acid, 2-amino-,2-propen-1-yl ester: it is used to produce other chemicals. For example, it is used to produce o-[(2-Propenyloxy)carbonyl]benzenediazonium tetrafluoroborate.
![Benzoic acid, 2-amino-,2-propen-1-yl ester is used to produce o-[(2-Propenyloxy)carbonyl]benzenediazonium tetrafluoroborate](/UserFilesUpload/Uses of Benzoic acid, 2-amino-,2-propen-1-yl ester.jpg)
The reaction needs reagents Sodium nitrite, Fluoroboric acid and solvent H2O. The yield is 93 %.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC\C=C)c1ccccc1N
(2) InChI: InChI=1/C10H11NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2
(3) InChIKey: UCANFCXAKYMFGA-UHFFFAOYAH