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| CAS No.: | 4001-73-4 |
|---|---|
| Name: | 2-BROMOBENZAMIDE |
| Article Data: | 51 |
| Molecular Structure: | |
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| Formula: | C7H6BrNO |
| Molecular Weight: | 200.035 |
| Synonyms: | Benzamide,o-bromo- (6CI,7CI,8CI);2-Bromobenzamide;2-Carbamoyl-1-bromobenzene;NSC10071;o-Bromobenzamide; |
| EINECS: | 223-650-9 |
| Density: | 1.609 g/cm3 |
| Melting Point: | 160-162 °C(lit.) |
| Boiling Point: | 298 °C at 760 mmHg |
| Flash Point: | 134 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | Beige powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 43.09000 |
| LogP: | 2.24830 |
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Specification
The CAS register number of Benzamide, 2-bromo- is 4001-73-4. It also can be called as o-Bromobenzamide and the IUPAC name about this chemical is 2-bromobenzamide. The molecular formula about this chemical is C7H6BrNO and the molecular weight is 200.03. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Anilines, Amides & Amines; Bromine Compounds; Amides; Carbonyl Compounds; Organic Building Blocks and so on.
Physical properties about Benzamide, 2-bromo- are: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.11; (5)ACD/BCF (pH 7.4): 2.11; (6)ACD/KOC (pH 5.5): 59.45; (7)ACD/KOC (pH 7.4): 59.45; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 42.87 cm3; (14)Molar Volume: 124.3 cm3; (15)Polarizability: 16.99x10-24cm3; (16)Surface Tension: 50.9 dyne/cm; (17)Enthalpy of Vaporization: 53.79 kJ/mol; (18)Boiling Point: 298 °C at 760 mmHg; (19)Vapour Pressure: 0.0013 mmHg at 25°C.
Uses of Benzamide, 2-bromo-: it can be used to produce 2-vinyl-benzoic acid amide with ethene at temperature of 120 ℃. This reaction will need reagent tri-o-tolylphosphine, Et3N, catalyst Pd(II) acηte and acetonitrile with reaction time of 24 hours. The reaction pressure is 22800.004. The yield is about 74%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1Br)N
(2)InChI: InChI=1/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
(3)InChIKey: NHNAEZDWNCRWRW-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
(5)Std. InChIKey: NHNAEZDWNCRWRW-UHFFFAOYSA-N