Identification	Physical Data	Spectra
Route of Synthesis (ROS)	Safety and Hazards	Other Data

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Identification

英文名	3-Hydroxyphthalic anhydride
IUPAC Name	4-hydroxy-2-benzofuran-1,3-dione
分子结构
CAS编号	37418-88-5
MDL Number	MFCD00011557
Beilstein Registry Number	135783
别名	3-hydroxyphthalic anhydride, 3-Hydroxyphthalic anhydride, 4-hydroxy-2,3-dihydro-1H-isobenzofuran-1,3-dione, 4-hydroxy-1,3-dihydro-2-benzofuran-1,3-dione, 3-hydroxyphthalic acid anhydride, 4-hydroxyisobenzofuran-1,3-dione, 4-hydroxisobenzofuran-1,3-dione
分子式	C8H4O4
分子量	164.117
InChI	InChI=1S/C8H4O4/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,9H
InChI Key	CCTOEAMRIIXGDJ-UHFFFAOYSA-N
Canonical SMILES	C1=CC2=C(C(=C1)O)C(=O)OC2=O

Patent Information
Patent ID	Title	Publication Date
US4837404	Process for the preparation of oxy-diphthalic anhydrides	1989
US4948904	Process for the preparation of oxydiphthalic anhydrides	1990
US5985275	β-Lactoglobulin modified with aromatic anhydride compound for preventing HIV infection	1999
US5952009	Methods for preventing the transmission of or treating patients infected with herpesvirus	1999

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Physical Data

Appearance	White to off-white powder
Sublimation	160 – 180 °C
Density	1.625g/cm3
Flash Point	160.238 °C

Melting Point, °C	Solvent (Melting Point)
199 – 202
195	diethyl ether
198 – 199	xylene

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Spectra

Description (NMR Spectroscopy)	Nucleus (NMR Spectroscopy)	Solvents (NMR Spectroscopy)	Frequency (NMR Spectroscopy), MHz	Original Text (NMR Spectroscopy)
Chemical shifts	1H	dimethylsulfoxide-d6	400
Chemical shifts	1H	tetradeuteriomethanol	500
Chemical shifts	1H	d(4)-methanol	500	1H NMR (CD3OD): δ 7.40 (d, 1H, J=8.1) 7.62 (d, 1H, J=6.9), 7.85 (t, 1H, J=7.8).

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Route of Synthesis (ROS)

Conditions	Yield
at 300℃; Green chemistry; Experimental Procedure 27.0 g (148 mmOl) of 3-hydroxyphthalic acid was placed in a sublimation tube and sublimed at 300 ° C to give a pale yellow solid 3-hydroxyphthalic anhydride 21.9 g, yield: 90percent.	90%
With dicyclohexyl-carbodiimide In dimethyl sulfoxide at 150℃; for 1h; Solvent; Temperature; Reagent/catalyst; Experimental Procedure 300 mL of DMSO was added to a 500 mL three-necked flask, the temperature was raised to 150 ° C, and 3-hydroxyphthalic acid25.00g (0.14mol), DCC195.00g, followed by incubation at 150 ° C for 1h, concentrated under reduced pressure, cooled to room temperature, was added dichloromethane100.00g beaten lh, filtered to give a pale yellow solid, dried at 55 ~ 60 , 17.96g, theory 22.53g, yield79.72percent, purity 98.83percent.	79.72%
at 150℃;
With acetyl chloride
With xylene
Erhitzen unter vermindertem Druck;
at 135 – 140℃; under 0.0375038 Torr;	4g

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Safety and Hazards

Pictogram(s)
Signal	Warning
GHS Hazard Statements	H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement Codes	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

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Other Data

Transportation	Not dangerous goods
	Under the room temperature and away from light
HS Code	294200
Storage	Under the room temperature and away from light
Shelf Life
Market Price

Use Pattern

3-Hydroxyphthalic anhydride CAS#: 37418-88-5 can be used to synthesize physiologically active pharmaceutical and pesticide compounds, and is also one of the important raw materials for heat resistant resins.

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