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| CAS No.: | 2476-35-9 |
|---|---|
| Name: | 5-Bromo-2-methoxybenzoic acid |
| Molecular Structure: | |
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|
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| Formula: | C8H7BrO3 |
| Molecular Weight: | 231.046 |
| Synonyms: | o-Anisicacid, 5-bromo- (6CI,7CI,8CI);2-Methoxy-5-bromobenzoic acid;5-Bromo-o-anisic acid; |
| Density: | 1.625 g/cm3 |
| Melting Point: | 118-122 °C |
| Boiling Point: | 334.7 °C at 760 mmHg |
| Flash Point: | 156.2 °C |
| Appearance: | WHITE TO TAN SOLID, POWDER, CRYSTALS,CRYSTALLINE POWDER AND/OR CHUNKS |
| Hazard Symbols: |
 T,  Xi
|
| Risk Codes: | 25 |
| Safety: | 45 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 46.53000 |
| LogP: | 2.15590 |
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Specification
The Benzoic acid,5-bromo-2-methoxy-, with the CAS registry number 2476-35-9, is also known as 2-Methoxy-5-bromobenzoic acid. It belongs to the product categories of Benzoic Acid; Acids & Esters; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; C8; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C8H7BrO3 and molecular weight is 231.04. Its IUPAC name is called 5-bromo-2-methoxybenzoic acid.
Physical properties of Benzoic acid,5-bromo-2-methoxy-: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 0.789; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 9.809; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.584; (11)Molar Refractivity: 47.552 cm3; (12)Molar Volume: 142.15 cm3; (13)Surface Tension: 49.247 dyne/cm; (14)Density: 1.625 g/cm3; (15)Flash Point: 156.208 °C; (16)Enthalpy of Vaporization: 60.973 kJ/mol; (17)Boiling Point: 334.678 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. In addition, this chemical that at low level can cause damage to health. It is toxic if swallowed. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)Br)C(=O)O
(2)InChI: InChI=1S/C8H7BrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: JFDUXZIRWBYBAQ-UHFFFAOYSA-N