Cas no 20909-03-9 (Benzylidene, a-cyano-p-nitro- (8CI))
20909-03-9 structure
Product Name:Benzylidene, a-cyano-p-nitro- (8CI)
CAS No:20909-03-9
MF:C8H4N2O2
MW:160.129561424255
CID:241775
PubChem ID:45121158
Update Time:2025-04-19
Benzylidene, a-cyano-p-nitro- (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzylidene, a-cyano-p-nitro- (8CI)
- Methylene,cyano(p-nitrophenyl)-
- Benzylidene,-alpha--cyano-p-nitro-(8ci)
- 20909-03-9
-
- Inchi: 1S/C8H4N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H
- InChI Key: MPCYMWXWESIXKX-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=CC([C]C#N)=CC=1)=O |^4:6|
Computed Properties
- Exact Mass: 162.043
- Monoisotopic Mass: 162.043
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 1.4
- Topological Polar Surface Area: 69.6A^2
Experimental Properties
- Color/Form: 奶油色至黃色結(jié)晶粉末
- Density: 1.272
- Melting Point: 114-118℃
- Boiling Point: 195-197℃ (12.0 mmHg)
- Flash Point: 157.2 °C
- Refractive Index: 1.577
- PSA: 69.61000
- LogP: 2.18408
Benzylidene, a-cyano-p-nitro- (8CI) Security Information
- Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
Benzylidene, a-cyano-p-nitro- (8CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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