Cas no 2769-30-4 (Thiocyanic acid,2-nitrophenyl ester)
2769-30-4 structure
Product Name:Thiocyanic acid,2-nitrophenyl ester
CAS No:2769-30-4
MF:C7H4N2O2S
MW:180.183859825134
CID:266481
PubChem ID:200815
Update Time:2025-04-19
Thiocyanic acid,2-nitrophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Thiocyanic acid,2-nitrophenyl ester
- o-Nitro(thiocyano)benzene
- (2-nitrophenyl) thiocyanate
- 1-nitro-2-thiocyanatobenzene
- Thiocyanic acid, 2-nitrophenyl ester
- AKOS024353666
- BRN 1369091
- 4-06-00-01670 (Beilstein Handbook Reference)
- 2-Nitrophenylthiocyanate
- 2769-30-4
- SCHEMBL9626333
- nitrophenylthiocyanate
- DTXSID90182046
-
- Inchi： 1S/C7H4N2O2S/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H
- InChI Key： BHFBHNGCLGLPJE-UHFFFAOYSA-N
- SMILES： S(C#N)C1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 179.99942
- Monoisotopic Mass: 179.999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- Density: 1.42
- Boiling Point: 298.4°Cat760mmHg
- Flash Point: 134.3°C
- Refractive Index: 1.637
- PSA: 66.93
Thiocyanic acid,2-nitrophenyl ester Related Literature
-
1. CLXXIV.—The orienting influence of the thiocyanogroup in aromatic compoundsFrederick Challenger,Alfred Drew Collins J. Chem. Soc. Trans. 1924 125 1377
-
A. Cousen J. Chem. Soc. Abstr. 1924 126 i929
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3. Formula index
2769-30-4 (Thiocyanic acid,2-nitrophenyl ester) Related Products
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