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Search term: WGYFINWERLNPHR-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Nitroanisole | C7H7NO3

3-Nitroanisole

  • Molecular FormulaC7H7NO3
  • Average mass153.135 Da
  • Monoisotopic mass153.042587 Da
  • ChemSpider ID21170967

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1865326 [Beilstein]
1-Methoxy-3-nitrobenzene [ACD/IUPAC Name]
1-Méthoxy-3-nitrobenzène [French] [ACD/IUPAC Name]
1-Methoxy-3-nitrobenzol [German] [ACD/IUPAC Name]
209-079-8 [EINECS]
3-nitro-anisole
3-Nitroanisole
555-03-3 [RN]
Benzene, 1-methoxy-3-nitro- [ACD/Index Name]
Methyl 3-nitrophenyl ether
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

V9920UY61E [DBID]
236284_ALDRICH [DBID]
255114_ALDRICH [DBID]
36909_RIEDEL [DBID]
AI3-00230 [DBID]
CCRIS 2319 [DBID]
CCRIS 2320 [DBID]
HSDB 5186 [DBID]
NCGC00091551-01 [DBID]
NCI-C60388 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      1265 (estimated with error: 89) NIST Spectra mainlib_118574, replib_228553, replib_24619

    • Retention Index (Lee):

      228 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 280 C; End time: 10 min; Start time: 5 min; CAS no: 555033; Active phase: HP5-MS; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Vrana, B.; Paschke, H.; Paschke, A.; Popp, P.; Schuurmann, G., Performance of semipermeable membrane devices for sampling of organic contaminants in groun water, J. Envirom. Monit., 7, 2005, 500-508.) NIST Spectra nist ri

    • Retention Index (Normal Alkane):

      1273 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 260 C; CAS no: 555033; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1(2), 1991, 333-358.) NIST Spectra nist ri

    • Retention Index (Linear):

      1346.1 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 555033; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2007.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 256.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.4±3.0 kJ/mol
Flash Point: 127.9±21.8 °C
Index of Refraction: 1.543
Molar Refractivity: 39.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 22.42
ACD/KOC (pH 5.5): 322.39
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.42
ACD/KOC (pH 7.4): 322.39
Polar Surface Area: 55 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 125.3±3.0 cm3

Click to predict properties on the Chemicalize site


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