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o-Phthalic anhydride - Analytical Reagent,99%, high purity , CAS No.85-44-9
Basic Description
Synonyms
CHEBI:36605 | PHTHALIC ANHYDRIDE | Wiltrol P | 1,3-DIOXOPHTHALANE | Anidride ftalica | pthalic anhydride | RCRA waste number U190 | STL194302 | HSDB 4012 | Phthalic anhydride treated gelatin | Phthalic anhydride, ACS reagent, >=99% | 2-Benzofuran-1,3-dion
Specifications & Purity
Premium-Grade Reagents, ≥99%
Storage Temp
Argon charged
Shipped In
Normal
Grade
Premium-Grade Reagents
Product Description
Product Describtion:
Phthalic anhydride is an industrially important chemical. It can be prepared from o-xylene or naphthalene. It is widely used for the industrial preparation of plasticizers for PVC (polyvinyl chloride).Phthalic anhydride can be synthesized via oxidation of o-xylene, in the presence of V2O5/TiO2 monolithic catalyst supported by aluminium honeycomb.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalic anhydrides
Alternative Parents
Isobenzofuranones Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
External Descriptors
2-benzofurans - cyclic dicarboxylic anhydride
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488180164
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488180164
IUPAC Name
2-benzofuran-1,3-dione
INCHI
InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H
InChIKey
LGRFSURHDFAFJT-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=O)OC2=O
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)OC2=O
WGK Germany
1
RTECS
TI3150000
UN Number
2214
Packing Group
III
Molecular Weight
148.12
Beilstein
118515
Reaxy-Rn
118515
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118515&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in water, carbon disulfide, ethanol, acetone and benzene. Slightly soluble in ethyl ether
Sensitivity
Moisture sensitive.
Flash Point(°F)
305.6 °F
Flash Point(°C)
152 °C
Boil Point(°C)
295°C
Melt Point(°C)
130.8°C
Molecular Weight
148.110 g/mol
XLogP3
1.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
148.016 Da
Monoisotopic Mass
148.016 Da
Topological Polar Surface Area
43.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
187.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Feng Yang, Junru Yao, Liqiang Jin, Wenjun Huyan, Jintang Zhou, Zhengjun Yao, Peijiang Liu, Xuewei Tao.
(2022)
Multifunctional Ti3C2TX MXene/Aramid nanofiber/Polyimide aerogels with efficient thermal insulation and tunable electromagnetic wave absorption performance under thermal environment. COMPOSITES PART B-ENGINEERING,
243
(110161).
2.
Xin Gao, Baodong Li, Shouwei Jian.
(2022)
Step-scheme CeO2/CaIn2S4 heterostructured photocatalysts for efficient reduction of Cr(Ⅵ) under visible light. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,
648
(129168).
3.
Jianping Guan, Jiao Yang, Yue Zhang, Xiaoxue Zhang, Huajuan Deng, Juan Xu, Jinyi Wang, Mao-Sen Yuan.
(2021)
Employing a fluorescent and colorimetric picolyl-functionalized rhodamine for the detection of glyphosate pesticide. TALANTA,
224
(121834).
4.
Qiang Liu, Lei Gao, Xingsong Su, Fei Zhou, Guotao Duan.
(2019)
Interfacial self-assembly of CoPc thin films with their high sensing use as NO2 sensors. MATERIALS CHEMISTRY AND PHYSICS,
234
(94).
5.
Xing Ruimin, Yang Haitang, Li Shengnan, Yang Jinghe, Zhao Xiaoyu, Wang Qinglong, Liu Shanhu, Liu Xiuhua.
(2017)
A sensitive and reliable rutin electrochemical sensor based on palladium phthalocyanine-MWCNTs-Nafion nanocomposite. JOURNAL OF SOLID STATE ELECTROCHEMISTRY,
21
(5):
(1219-1228).
6.
Zhaoyu Cao, Minming Wu, Yunfei Zhao, Lisha Dai, Rong Zeng, Mei Tu, Jianhao Zhao.
(2016)
Bioinspired double-positively charged phosphodicholine-chitosan and zwitterionic phosphorylcholine-chitosan conjugates: The associated water structure, biocompatibility and antibacterial action. REACTIVE & FUNCTIONAL POLYMERS,
103
(1).
7.
Qinglong Wang, Haiyan Li, Jing-He Yang, Qian Sun, Qiuye Li, Jianjun Yang.
(2016)
Iron phthalocyanine-graphene donor-acceptor hybrids for visible-light-assisted degradation of phenol in the presence of H2O2. APPLIED CATALYSIS B-ENVIRONMENTAL,
192
(182).
8.
Haodong Gu, Li Tian, Qiuqi Zhang, Xiao You, Mengmeng Wang, Shaoming Dong, Jinshan Yang.
(2024)
Biomimetic Leaf-Vein Aerogel for Electromagnetic Wave Absorption and Thermal Superinsulation. Small,
(2402423).
9.
Zhaoying Yang, Xinge Wu, Gaowu Qin, Xiangying Meng.
(2025)
FeCo-SN-C dual-site catalyst with high stability and oxygen reduction activity. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,
118
(417).
10.
Yanhao Liu, Shubin Li, Jiang Zhu, Lili Fan, Lu Wang.
(2024)
Rapid preparation of injectable dual-network hydrogels for biomedical applications using UV-triggered sulfhydryl click reactions. COLLOIDS AND SURFACES B-BIOINTERFACES,
244
(114180).
11.
Danyan Lin, Xiujie Lin, Hao Li, Hongyuan Huang, Huan Yang, Jie Yang, Baowei Hu, Fengfeng Chen, Xinrong Guo, Xiangke Wang, Wen Yao.
(2025)
Ultrathin porous nitrogen-doped carbon nanosheets with rich defects for efficient Cr(VI) reduction. APPLIED CATALYSIS B-ENVIRONMENTAL,
370
(125174).
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11 Citations
B2508357