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| CAS No.: | 26385-07-9 |
|---|---|
| Name: | N-(2-CHLOROETHYL)BENZAMIDE |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C9H10ClNO |
| Molecular Weight: | 183.637 |
| Synonyms: | N-(2-Chloroethyl)benzamide;NSC 520281; |
| EINECS: | 247-641-4 |
| Density: | 1.164 g/cm3 |
| Melting Point: | 103-106 °C(lit.) |
| Boiling Point: | 366.4 °C at 760 mmHg |
| Flash Point: | 175.4 °C |
| Appearance: | off-white to beige crystalline powder and chunks |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.10000 |
| LogP: | 2.04610 |
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Specification
The Benzamide,N-(2-chloroethyl)-, with the CAS registry number 26385-07-9, is also known as N-(2-chloroethyl)benzamide. Its EINECS registry number is 247-641-4. This chemical's molecular formula is C9H10ClNO and molecular weight is 183.63. What's more, both its IUPAC name and systematic name are the same which is called N-(2-chloroethyl)benzamide.
Physical properties about this chemical are: (1)ACD/LogP: 1.46; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.56; (6)ACD/BCF (pH 7.4): 7.56; (7)ACD/KOC (pH 5.5): 148.09; (8) ACD/KOC (pH 7.4): 148.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 49.35 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 19.56×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.164 g/cm3; (19)Flash Point: 175.4 °C; (20)Enthalpy of Vaporization: 61.28 kJ/mol; (21)Boiling Point: 366.4 °C at 760 mmHg; (22) Vapour Pressure: 1.47E-05 mmHg at 25 °C.
Uses of Benzamide,N-(2-chloroethyl): it is used to produce other chemicals. For example, it is used to produce 2-Phenyl-4,5-dihydro-oxazole.The reaction occurs with reagent AgBF4 and solvent acetonitrile on the condition of ambient temperature for 16 hours.
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: O=C(NCCCl)c1ccccc1
(2) InChI: InChI=1/C9H10ClNO/c10-6-7-11-9(12)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
(3) InChIKey: FYQJUYCGPLFWQR-UHFFFAOYAF