Cas no 935-05-7 (Nitrous acid benzyl ester)
Nitrous acid benzyl ester structure
Product Name:Nitrous acid benzyl ester
Nitrous acid benzyl ester Chemical and Physical Properties
Names and Identifiers
-
- Nitrous acid benzyl ester
- Benzyl nitrite
- Phenylmethyl nitrite
- XVC6EPA25U
- Nitrous acid, phenylmethyl ester
- Nitrous acid, benzyl ester
- Benzylnitrit
- 935-05-7
- NSC 26305
- NSC-26305
- DTXSID50239444
- SCHEMBL1425850
- NSC26305
-
- Inchi： 1S/C7H7NO2/c9-8-10-6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key： IYYGLLJDALWAMD-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)N=O
Computed Properties
- Exact Mass: 137.047678466g/mol
- Monoisotopic Mass: 137.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 99.8
- 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: 1.5
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- Density: 1.0750
- Boiling Point: 251.96°C (rough estimate)
- Refractive Index: 1.5323 (estimate)
Nitrous acid benzyl ester Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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