Cas no 13245-55-1 (4-Hydroxyphenyl 4-nitrobenzoate)
13245-55-1 structure
Product Name:4-Hydroxyphenyl 4-nitrobenzoate
CAS No:13245-55-1
MF:C13H9NO5
MW:259.214263677597
CID:199652
PubChem ID:229623
Update Time:2025-04-19
4-Hydroxyphenyl 4-nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- 4-Hydroxyphenyl 4-nitrobenzoate
- (4-hydroxyphenyl) 4-nitrobenzoate
- 1,4-Benzenediol,1-(4-nitrobenzoate)
- 4-hydroxyphenyl-4-nitrobenzoat
- 4-Nitro-benzoesaeure-(4-hydroxy-phenylester)
- 4-nitro-benzoic acid-(4-hydroxy-phenyl ester)
- p-Hydroxyphenyl-p-nitrobenzoat
- Nsc23422
- 4-Benzenediol
- 1-(4-nitrobenzoate)
- OOKOBCBLUCPMQB-UHFFFAOYSA-N
- DTXSID40927686
- NSC-23422
- SCHEMBL9135711
- 13245-55-1
- 4-Hydroxyphenyl4-nitrobenzoate
- 4-Nitro-benzoic acid 4-hydroxy-phenyl ester
-
- Inchi： 1S/C13H9NO5/c15-11-5-7-12(8-6-11)19-13(16)9-1-3-10(4-2-9)14(17)18/h1-8,15H
- InChI Key： OOKOBCBLUCPMQB-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)C1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 259.04800
- Monoisotopic Mass: 259.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 324
- 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: 3.1
- Topological Polar Surface Area: 92.4?2
Experimental Properties
- Density: 1.415
- Boiling Point: 477.6°Cat760mmHg
- Flash Point: 242.7°C
- Refractive Index: 1.644
- PSA: 92.35000
- LogP: 3.04280
4-Hydroxyphenyl 4-nitrobenzoate Customs Data
- HS CODE：2916399090
- Customs Data：
China Customs Code:
2916399090Overview:
2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly
Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
4-Hydroxyphenyl 4-nitrobenzoate Related Literature
-
Subhankar Saha,Gautam R. Desiraju Chem. Commun. 2017 53 6371
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