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Search term: COC(=O)C1=CN=C(O1)Cl (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | Methyl 2-chloro-1,3-oxazole-5-carboxylate | C5H4ClNO3

Methyl 2-chloro-1,3-oxazole-5-carboxylate

  • Molecular FormulaC5H4ClNO3
  • Average mass161.543 Da
  • Monoisotopic mass160.987976 Da
  • ChemSpider ID21402777

More details:






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

2-Chloro-1,3-oxazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Oxazolecarboxylic acid, 2-chloro-, methyl ester [ACD/Index Name]
Methyl 2-chloro-1,3-oxazole-5-carboxylate [ACD/IUPAC Name]
Methyl-2-chlor-1,3-oxazol-5-carboxylat [German] [ACD/IUPAC Name]
[934236-41-6]
2-Chloro-5-(methoxycarbonyl)-1,3-oxazole
2-chloro-5-Oxazolecarboxylic acid methyl ester
934236-41-6 [RN]
'934236-41-6
AGN-PC-0570F6
More...

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

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-18687]
    • Safety:

      20/21/22 Novochemy [NC-18687]
      20/21/36/37/39 Novochemy [NC-18687]
      GHS07; GHS09 Novochemy [NC-18687]
      H332; H403 Novochemy [NC-18687]
      Harmful/Irritant/Store under Argon SynQuest 53046, P311-A-28
      P332+P313; P305+P351+P338 Novochemy [NC-18687]
      R20/21/22,R36/37/38 SynQuest 53046, P311-A-28
      S3/7,S6,S24/25,S36/37/39,S45 SynQuest 53046, P311-A-28
      Warning Novochemy [NC-18687]
      Xn Novochemy [NC-18687]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 240.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 99.0±25.1 °C
Index of Refraction: 1.490
Molar Refractivity: 33.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.93
ACD/KOC (pH 5.5): 92.78
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.93
ACD/KOC (pH 7.4): 92.78
Polar Surface Area: 52 Å2
Polarizability: 13.2±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 115.3±3.0 cm3

Click to predict properties on the Chemicalize site





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