Cas no 99-78-5 (2-methylpropyl 4-nitrobenzoate)
99-78-5 structure
Product Name:2-methylpropyl 4-nitrobenzoate
CAS No:99-78-5
MF:C11H13NO4
MW:223.225223302841
CID:1003031
PubChem ID:234278
Update Time:2025-04-20
2-methylpropyl 4-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-methylpropyl 4-nitrobenzoate
- Benzoic acid, 4-nitro-, 2-methylpropyl ester
- Benzoic acid, p-nitro-, isobutyl ester
- DTXSID10283862
- 99-78-5
- Q63392595
- PARA-NITROBENZOIC ACID ISOBUTYL ESTER
- SCHEMBL10439554
- AKOS002270826
- Isobutyl p-nitrobenzoate
- p-Nitrobenzoic acid, isobutyl ester
- Isobutyl 4-nitrobenzoate #
- Isobutyl 4-nitrobenzoate
- 4-Nitrobenzoic acid, 2-methylpropyl ester
- NSC33845
- DCZWILGYHRWANR-UHFFFAOYSA-N
- NSC-33845
-
- Inchi： 1S/C11H13NO4/c1-8(2)7-16-11(13)9-3-5-10(6-4-9)12(14)15/h3-6,8H,7H2,1-2H3
- InChI Key： DCZWILGYHRWANR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)CC(C)C
Computed Properties
- Exact Mass: 223.084
- Monoisotopic Mass: 223.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 251
- 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: 3.3
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.18
- Boiling Point: 334.8°C at 760 mmHg
- Flash Point: 144°C
- Refractive Index: 1.53
2-methylpropyl 4-nitrobenzoate Related Literature
-
Ching Hsuan Lin,Yu Sin Shih,Meng Wei Wang,Chun Yu Tseng,Tzong Yuan Juang,Chih Feng Wang RSC Adv., 2014,4, 8692-8698
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
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
99-78-5 (2-methylpropyl 4-nitrobenzoate) Related Products
- 14786-27-7(Benzyl 4-Nitrobenzoate)
- 618-71-3(Ethyl 3,5-dinitrobenzoate)
- 13290-96-5(Dimethyl 5-nitroisophthalate)
- 619-50-1(Methyl 4-nitrobenzoate)
- 1955-46-0(Methyl 5-Nitroisophthalate)
- 618-95-1(Methyl 3-nitrobenzoate)
- 99-77-4(ethyl-P-nitrobenzoate)
- 618-98-4(Ethyl 3-nitrobenzoate)
- 120-48-9(Benzoic acid, 4-nitro-,butyl ester)
- 10552-74-6(Nitrothal-isopropyl)
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