Cas no 7471-30-9 (4-nitrobenzyl 2-nitrobenzoate)
4-nitrobenzyl 2-nitrobenzoate structure
Product Name:4-nitrobenzyl 2-nitrobenzoate
CAS No:7471-30-9
MF:C14H10N2O6
MW:302.239003658295
CID:979998
PubChem ID:345795
Update Time:2025-04-19
4-nitrobenzyl 2-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- 4-nitrobenzyl 2-nitrobenzoate
- (4-nitrophenyl)methyl 2-nitrobenzoate
- 2-Nitro-benzoesaeure-(4-nitro-benzylester)
- 2-nitro-benzoic acid-(4-nitro-benzyl ester)
- AC1L83JH
- CHEMBL2089325
- NSC403576
- STK727911
- AKOS001723821
- 7471-30-9
- SR-01000089642
- EU-0051173
- SR-01000089642-1
- DTXSID10323318
- NSC-403576
- MFCD00820020
-
- Inchi： 1S/C14H10N2O6/c17-14(12-3-1-2-4-13(12)16(20)21)22-9-10-5-7-11(8-6-10)15(18)19/h1-8H,9H2
- InChI Key： KJUUWRYIMNTSLH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1[N+](=O)[O-])=O)CC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 302.0539
- Monoisotopic Mass: 302.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 422
- 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
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.427
- Boiling Point: 478.6°C at 760 mmHg
- Flash Point: 214.6°C
- Refractive Index: 1.632
- PSA: 112.58
- LogP: 3.90640
4-nitrobenzyl 2-nitrobenzoate Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
7471-30-9 (4-nitrobenzyl 2-nitrobenzoate) Related Products
- 5292-45-5(Dimethyl nitroterephthalate)
- 21606-04-2(Methyl 3-Nitrophthalate)
- 5471-82-9(Methyl 3-methyl-2-nitrobenzoate)
- 65399-18-0(4-Nitrophthalide)
- 13365-26-9(Dimethyl 3-nitrophthalate)
- 7356-11-8(Methyl 4-methyl-3-nitrobenzoate)
- 24078-21-5(Methyl 3-methyl-4-nitrobenzoate)
- 641-70-3(3-Nitrophthalic anhydride)
- 3816-62-4(Methyl 2-amino-5-nitrobenzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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