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Name |
4'-Bromoacetanilide |
EINECS | 203-154-9 |
CAS No. | 103-88-8 | Density | 1.543 g/cm3 |
PSA | 29.10000 | LogP | 2.48050 |
Solubility | Insoluble in water | Melting Point |
165-169 °C(lit.) |
Formula | C8H8BrNO | Boiling Point | 353.4 °C at 760 mmHg |
Molecular Weight | 214.062 | Flash Point | 167.6 °C |
Transport Information | UN 2811 | Appearance | white to light beige crystalline solid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Acetanilide,4'-bromo- (6CI,7CI,8CI);Acetanilide, p-bromo- (3CI);1-(N-Acetylamino)-4-bromobenzene;1-Bromo-4-acetamidobenzene;4-(Acetylamino)-1-bromobenzene;4-Acetamido-1-bromobenzene;Antisepsin;Asepsin;Bromoacetanilide;Bromoantifebrin;Monobromoacetanilide;N-(4-Bromophenyl)acetamide;N-(p-Bromophenyl)acetamide;N-Acetyl-4-bromoaniline;N-Acetyl-p-bromoaniline;NSC 105442;NSC 8048;p-Bromo-N-acetanilide;p-Bromoacetanilide; |
Article Data | 382 |
The 4-Bromoacetanilide, with the cas registry number 103-88-8, has the systematic name of N-(4-bromophenyl)acetamide. This is a kind of white to light beige crystalline solid, and is incompatible with strong oxidizing agents. Its product categories are various, including aromatic carboxylic acids, anhydrides & salts; halides; phenyls & phenyl-het; anilines, amides & amines; bromine compounds; phenyls & phenyl-het.
The characteristics of this chemical are as follows: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 32.39; (5)ACD/BCF (pH 7.4): 32.39; (6)ACD/KOC (pH 5.5): 419.53; (7)ACD/KOC (pH 7.4): 419.53; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.31; (12)Index of Refraction: 1.611; (13)Molar Refractivity: 48.21 cm3; (14)Molar Volume: 138.7 cm3; (15)Polarizability: 19.11 ×10-24 cm3; (16)Surface Tension: 46.1 dyne/cm; (17)Density: 1.543 g/cm3; (18)Flash Point: 167.6 °C; (19)Enthalpy of Vaporization: 59.84 kJ/mol; (20)Boiling Point: 353.4 °C at 760 mmHg; (21)Vapour Pressure: 3.58E-05 mmHg at 25°C; (22)Exact Mass: 212.978926; (23)MonoIsotopic Mass: 212.978926; (24)Topological Polar Surface Area: 29.1; (25)Heavy Atom Count: 11; (26)Complexity: 141.
Production method of 4-Bromoacetanilide is as follows: N-phenyl-acetamide could react to produce 4-Bromoacetanilide, with the following condition: reagent: potassium bromide and oxone; solution: H2O and acetonitrile; reaction temp.: 20 ℃; yield: 76%;
Use of 4-Bromoacetanilide is as follows: 4-Bromoacetanilide reacts with T4-methyl-2-thioxo-2l5-[1,3,2]dioxaphosphinane-2-thiol; ammonium salt to produce N-[4-(4-methyl-2-thioxo-2l5-[1,3,2]dioxaphosphinan-2-ylsulfanyl)-phenyl]-acetamide, with the following condition: reagent: EtONa; solution: benzene; reaction time: 10 hours; yield: 72%; other condition: heating.
While dealing with this chemical, you should be very cautious. For being a kind of irritant chemical, it is harmful to eyes, respiratory system and skin. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
In addition, you could obtain the molecular structure by converting the following datas:
(1)SMILES:Brc1ccc(NC(=O)C)cc1
(2)InChI:InChI=1/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
(3)InChIKey:MSLICLMCQYQNPK-UHFFFAOYAL
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | National Technical Information Service. Vol. AD277-689, | |
rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 10, 1953 |