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CAS No.: | 101084-39-3 |
---|---|
Name: | 3-BROMO-2-METHOXYBENZOIC ACID 97 |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H7BrO3 |
Molecular Weight: | 231.046 |
Synonyms: | o-Anisicacid, 3-bromo- (6CI);2-Methoxy-3-bromobenzoic acid;3-Bromo-2-methoxybenzoicacid;NSC 76704; |
Density: | 1.625 g/cm3 |
Melting Point: | 121-123 °C |
Boiling Point: | 327.6 °C at 760 mmHg |
Flash Point: | 151.9 °C |
Hazard Symbols: | T,Xn |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 46.53000 |
LogP: | 2.15590 |
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The Benzoic acid,3-bromo-2-methoxy-, with the CAS registry number 101084-39-3, is also known as 3-Bromo-2-methoxybenzoic acid 97%. It belongs to the product categories of Blocks; Bromides; Carboxes; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; C8; Carbonyl Compounds; Carboxylic Acids. This chemical's molecular formula is C8H7BrO3 and molecular weight is 231.04. Its IUPAC name is called 3-bromo-2-methoxybenzoate.
Physical properties of Benzoic acid,3-bromo-2-methoxy-: (1)ACD/LogP: 2.11 ; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Index of Refraction: 1.583; (6)Molar Refractivity: 47.55 cm3; (7)Molar Volume: 142.1 cm3; (8)Surface Tension: 49.2 dyne/cm; (9)Density: 1.625 g/cm3; (10)Flash Point: 151.9 °C; (11)Enthalpy of Vaporization: 60.16 kJ/mol; (12)Boiling Point: 327.6 °C at 760 mmHg; (13)Vapour Pressure: 8.11E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health. It also may cause inflammation to the skin or other mucous membranes. 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=CC=C1Br)C(=O)[O-]
(2)InChI: InChI=1S/C8H7BrO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11)/p-1
(3)InChIKey: PIBPHOFXQUUPTM-UHFFFAOYSA-M