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CAS No.: | 29182-97-6 |
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Name: | 2-Bromo-N-methylacetanilide |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C9H10BrNO |
Molecular Weight: | 228.088 |
Synonyms: | Acetanilide,2-bromo-N-methyl- (8CI);2-Bromo-N-methyl-N-phenylacetamide;2-Bromo-N-methylacetanilide;N-(Bromoacetyl)-N-methylaniline;N-Methyl-N-phenyl-2-bromoacetamide;N-Methyl-a-bromoacetanilide; |
Density: | 1.478g/cm3 |
Boiling Point: | 277.3 °C at 760 mmHg |
Flash Point: | 121.5 °C |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 20.31000 |
LogP: | 2.04430 |
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The 2-Bromo-N-methyl-N-phenylacetamide with the CAS number 29182-97-6 is also called Acetamide,2-bromo-N-methyl-N-phenyl-. Its molecular formula is C9H10BrNO. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.97; (6)ACD/BCF (pH 7.4): 12.97; (7)ACD/KOC (pH 5.5): 217.96; (8)ACD/KOC (pH 7.4): 217.96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 52.96 cm3; (15)Molar Volume: 154.2 cm3; (16)Polarizability: 20.99×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Enthalpy of Vaporization: 51.59 kJ/mol; (19)Vapour Pressure: 0.00455 mmHg at 25°C.
Preparation: This chemical can be prepared by the reaction of bromoacetyl bromide and N-methyl-aniline. This reaction needs reagent diethyl ether.
Uses: This chemical can react with 3-nitro-phenol to prepare N-methyl-2-(3-nitro-phenoxy)-N-phenyl-acetamide. This reaction needs reagent K2CO3 and solvent dimethylformamide at temperature of 70 °C. The yield is 89%.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)N(c1ccccc1)C
(2)InChI: InChI=1/C9H10BrNO/c1-11(9(12)7-10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
(3)InChIKey: YLDILLQKQASWBA-UHFFFAOYAO
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 60mg/kg (60mg/kg) | "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 3, 1959. |