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| CAS No.: | 6280-80-4 |
|---|---|
| Name: | 2-Formylphenoxyacetic acid |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C9H8O4 |
| Molecular Weight: | 180.16 |
| Synonyms: | Aceticacid, (2-formylphenoxy)- (9CI);Acetic acid, (o-formylphenoxy)- (6CI,7CI,8CI);(2-Formylphenoxy)acetic acid;2-(2-Formylphenoxy)acetic acid;2-Carboxymethoxybenzaldehyde;NSC 133590;NSC 6140;o-Formylphenoxyacetic acid; |
| EINECS: | 228-480-9 |
| Density: | 1.322 g/cm3 |
| Melting Point: | 129.5-132 °C(lit.) |
| Boiling Point: | 364 °C at 760 mmHg |
| Flash Point: | 151.1 °C |
| Appearance: | light brown crystalline powder |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 63.60000 |
| LogP: | 0.96250 |
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- Total:23 Page 1 of 1 1
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Specification
The 2-Formylphenoxyacetic acid, its cas register number is 6280-80-4. It also can be called as Acetic acid, (o-formylphenoxy)- and the IUPAC name about this chemical is 2-(2-Formylphenoxy)acetic acid. It is a light brown crystalline powder and it sensitive to air. It belongs to the following product categories, such as Phenoxyacetic Acids and Alcohols (substituted), Aldehydes, C9, Carbonyl Compounds.
The 2-Formylphenoxyacetic acid react with ethanol can get (2-formyl-phenoxy)-acetic acid ethyl ester, also it can react with 3-[(2-quinolinyl)methoxy]aniline, then can get (2-{[3-(quinolin-2-ylmethoxy)-phenylimino]-methyl}-phenoxy)-acetic acid. React with N-(2-amino-ethyl)-acetamide and 3-(2-isocyano-ethylsulfanyl)-propionic acid methyl ester can get 3-(2-{[4-(2-acetylamino-ethyl)-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carbonyl]-amino}-ethylsulfanyl)-propionic acid methyl ester.
Following are the chemical properties about 2-Formylphenoxyacetic acid: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 52.6Å2; (5)Index of Refraction: 1.588; (6)Molar Refractivity: 45.88 cm3; (7)Molar Volume: 136.2 cm3; (8)Polarizability: 18.18x10-24cm3; (9)Surface Tension: 54.7 dyne/cm; (10)Enthalpy of Vaporization: 64.38 kJ/mol; (11)Vapour Pressure: 6.14E-06 mmHg at 25°C
The 2-Formylphenoxyacetic acid is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, please be more careful, you need avoid contact with skin and eyes. WGK Germany about it is 3. There are some first aid measures: (1) Inhalation, please supply fresh air. If required, provide artificial respiration, and keep patient warm, also consult doctor if symptoms persist; (2) Skin contact, please seek immediate medical advice, then instantly wash with water and soap and rinse thoroughly; (3) Eye contact, please seek immediate medical advice, and rinse opened eye for several minutes under running water. Then consult doctor; (4) Swallowing, please seek immediate medical advice.
This chemical can be described computed from structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C=O)OCC(=O)O
(2)InChI: InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
(3)InChIKey: ANWMNLAAFDCKMT-UHFFFAOYSA-N