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| CAS No.: | 50434-36-1 |
|---|---|
| Name: | 2-(4-nitrophenyl)acetyl chloride |
| Article Data: | 101 |
| Molecular Structure: | |
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| Formula: | C8H6ClNO3 |
| Molecular Weight: | 199.594 |
| Synonyms: | Acetylchloride, (p-nitrophenyl)- (6CI);4-Nitrophenylacetyl chloride;p-Nitrophenylacetyl chloride;2-(4-nitrophenyl)acetyl chloride; |
| Density: | 1.399 g/cm3 |
| Boiling Point: | 328.9 °C at 760 mmHg |
| Flash Point: | 152.7 °C |
| PSA: | 62.89000 |
| LogP: | 2.42590 |
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Specification
The CAS register number of Benzeneacetylchloride, 4-nitro- is 50434-36-1. The IUPAC name about this chemical is 2-(4-nitrophenyl)acetyl chloride. The molecular formula about this chemical is C8H6ClNO3 and the molecular weight is 199.59354.
Physical properties about Benzeneacetylchloride, 4-nitro- are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.3; (5)ACD/BCF (pH 7.4): 18.3; (6)ACD/KOC (pH 5.5): 278.81; (7)ACD/KOC (pH 7.4): 278.81; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 62.89 Å2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 47.22 cm3; (13)Molar Volume: 142.5 cm3; (14)Polarizability: 18.72x10-24cm3; (15)Surface Tension: 51.9 dyne/cm; (16)Density: 1.399 g/cm3; (17)Flash Point: 152.7 °C; (18)Enthalpy of Vaporization: 57.14 kJ/mol; (19)Boiling Point: 328.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000183 mmHg at 25 °C.
Preparation: this chemical can be prepared by (4-nitro-phenyl)-acetic acid. This reaction will need reagent of SOCl2 and it needs heating.
Uses of Benzeneacetylchloride, 4-nitro-: it can be used to produce 4-methoxy-4'-nitro-deoxybenzoin with methoxybenzene. This reaction will need reagents of AlCl3, carbon disulfide.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)Cc1ccc(cc1)[N+]([O-])=O
(2)InChI: InChI=1/C8H6ClNO3/c9-8(11)5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
(3)InChIKey: FYXZTVPBFJQFBO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H6ClNO3/c9-8(11)5-6-1-3-7(4-2-6)10(12)13/h1-4H,5H2
(5)Std. InChIKey: FYXZTVPBFJQFBO-UHFFFAOYSA-N