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| CAS No.: | 10147-71-4 |
|---|---|
| Name: | ALPHA-CHLORO-3-NITROACETANILIDE |
| Article Data: | 69 |
| Molecular Structure: | |
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| Formula: | C8H7CN2O3 |
| Molecular Weight: | 214.608 |
| Synonyms: | Acetanilide,2-chloro-3'-nitro- (6CI,7CI,8CI);2-Chloro-N-(3-nitrophenyl)acetamide;3-Nitro-a-chloroacetanilide;N-Chloroacetyl-3-nitroaniline;N-Chloroacetyl-m-nitroaniline;a-Chloro-3-nitroacetanilide;a-Chloro-N-(3-nitrophenyl)acetamide; |
| EINECS: | -0 |
| Density: | 1.472 g/cm3 |
| Melting Point: | 112-115 °C |
| Boiling Point: | 410.8 °C at 760 mmHg |
| Flash Point: | 202.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 74.92000 |
| LogP: | 2.36830 |
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- Total:16 Page 1 of 1 1
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Specification
The Acetamide,2-chloro-N-(3-nitrophenyl)-, with the CAS registry number 10147-71-4, is also known as Acetamide, N-(3-nitrophenyl)-2-chloro-. This chemical's molecular formula is C8H7CN2O3 and molecular weight is 214.61. What's more, its systematic name is 2-chloro-N-(3-nitrophenyl)acetamide. It should be sealed and stored in a cool and dry place.
Physical properties of Acetamide,2-chloro-N-(3-nitrophenyl)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.07; (6)ACD/BCF (pH 7.4): 20.07; (7)ACD/KOC (pH 5.5): 297.85; (8)ACD/KOC (pH 7.4): 297.84; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 66.13 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 51.91 cm3; (15)Molar Volume: 145.7 cm3; (16)Polarizability: 20.58 × 10-24 cm3; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.472 g/cm3; (19)Flash Point: 202.3 °C; (20)Enthalpy of Vaporization: 66.32 kJ/mol; (21)Boiling Point: 410.8 °C at 760 mmHg; (22)Vapour Pressure: 5.85E-07 mmHg at 25°C.
Preparation: this chemical can be prepared by chloroacetyl chloride and 3-nitro-aniline by heating. This reaction will need solvent benzene with the reaction time of 5 hours. The yield is about 58%.
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Uses of Acetamide,2-chloro-N-(3-nitrophenyl)-: it can be used to produce 2-benzoimidazol-1-yl-N-(3-nitro-phenyl)-acetamide by heating. It will need solvent methanol with the reaction time of 8 hours. The yield is about 60%.
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When you are using this chemical, please be cautious about it as the following:
In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N