Product Name

  • Name

    2-(4-nitrophenyl)acetyl chloride

  • EINECS
  • CAS No. 50434-36-1
  • Article Data101
  • CAS DataBase
  • Density 1.399 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6ClNO3
  • Boiling Point 328.9 °C at 760 mmHg
  • Molecular Weight 199.594
  • Flash Point 152.7 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 50434-36-1 (2-(4-nitrophenyl)acetyl chloride)
  • Hazard Symbols
  • Synonyms Acetylchloride, (p-nitrophenyl)- (6CI);4-Nitrophenylacetyl chloride;p-Nitrophenylacetyl chloride;2-(4-nitrophenyl)acetyl chloride;
  • PSA 62.89000
  • LogP 2.42590

Benzeneacetylchloride, 4-nitro- 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.

Benzeneacetylchloride, 4-nitro- can be prepared by (4-nitro-phenyl)-acetic acid.

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.

Benzeneacetylchloride, 4-nitro- can be used to produce 4-methoxy-4'-nitro-deoxybenzoin with methoxybenzene.

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

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