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| CAS No.: | 2564-02-5 |
|---|---|
| Name: | N-(4-BROMOPHENYL)-2-CHLOROACETAMIDE |
| Molecular Structure: | |
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| Formula: | C8H7BrClNO |
| Molecular Weight: | 248.507 |
| Synonyms: | Acetanilide,4'-bromo-2-chloro- (6CI,7CI,8CI);2-Chloro-4'-bromoacetanilide;2-Chloro-N-(p-bromophenyl)acetamide;N-(4-Bromophenyl)-2-chloroacetamide;N-(4-Bromophenyl)chloroacetamide;N-(Chloroacetyl)-4-bromoaniline;N-Chloroacetyl-p-bromoaniline;NSC 220248;p-Bromo-2-chloroacetanilide; |
| Density: | 1.655 g/cm3 |
| Melting Point: | 180-184 °C (dec.)(lit.) |
| Boiling Point: | 386.3 °C at 760 mmHg |
| Flash Point: | 187.4 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.10000 |
| LogP: | 2.69940 |
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Specification
The CAS registry number of Acetamide,N-(4-bromophenyl)-2-chloro is 2564-02-5. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C8H7BrClNO and molecular weight is 248.5. What's more, its IUPAC name is N-(4-Bromophenyl)-2-chloroacetamide.
Physical properties about this chemical are: (1)ACD/LogP: 2.84; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.29; (6)ACD/BCF (pH 7.4): 84.29; (7)ACD/KOC (pH 5.5): 831.91; (8)ACD/KOC (pH 7.4): 831.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 53.06 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.655 g/cm3; (19)Flash Point: 187.4 °C; (20)Enthalpy of Vaporization: 63.52 kJ/mol; (21)Boiling Point: 386.3 °C at 760 mmHg; (22)Vapour Pressure: 3.58E-06 mmHg at 25 °C.
Preparation of Acetamide,N-(4-bromophenyl)-2-chloro: this chemical can be prepared by Chloroacetyl chloride and 4-Bromo-aniline. This reaction needs reagent Benzene.
-2-chloro.png)
Uses of Acetamide,N-(4-bromophenyl)-2-chloro: it can react with Piperidine to give N-(4-Bromo-phenyl)-2-piperidin-1-yl-acetamide. The reaction occurs with reagent Benzene.
-2-chloro.png)
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(NC(=O)CCl)cc1
(2) InChI: InChI=1/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
(3) InChIKey: FRZKCMCCQAJIBN-UHFFFAOYAJ
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01741, |