Cas no 68527-46-8 (m-nitrophenethyl acetate)
m-nitrophenethyl acetate structure
Product Name:m-nitrophenethyl acetate
CAS No:68527-46-8
MF:C10H11NO4
MW:209.198642969131
CID:971095
PubChem ID:110451
Update Time:2025-04-19
m-nitrophenethyl acetate Chemical and Physical Properties
Names and Identifiers
-
- m-nitrophenethyl acetate
- 2-(3-nitrophenyl)ethyl acetate
- Benzeneethanol, 3-nitro-, 1-acetate
- Benzeneethanol, 3-nitro-, acetate (ester)
- m-Nitrophenethyl alcohol acetate
- UNII-5MKT2S865H
- NS00036631
- DTXSID7071600
- acetic acid 2-(3-nitro-phenyl)-ethyl ester
- EINECS 271-268-6
- 68527-46-8
- 5MKT2S865H
- SCHEMBL4688326
- 3-nitrophenethyl acetate
-
- Inchi： 1S/C10H11NO4/c1-8(12)15-6-5-9-3-2-4-10(7-9)11(13)14/h2-4,7H,5-6H2,1H3
- InChI Key： DHCRSUDNZBCHMQ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CCC1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 209.06883
- Monoisotopic Mass: 209.068808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 236
- 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
- Topological Polar Surface Area: 72.1
- XLogP3: 1.9
Experimental Properties
- Density: 1.226
- Boiling Point: 328.8°C at 760 mmHg
- Flash Point: 148.5°C
- Refractive Index: 1.538
- PSA: 69.44
m-nitrophenethyl acetate Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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