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1204-28-0

Basic Information
CAS No.: 1204-28-0
Name: 4-Chloroformylphthalic anhydride
Article Data: 12
Cas Database
Molecular Structure:
Molecular Structure of 1204-28-0 (4-Chloroformylphthalic anhydride)
Formula: C9H3ClO4
Molecular Weight: 210.573
Synonyms: Phthalicanhydride, 4-(chloroformyl)- (7CI,8CI);1,3-Benzofurandione-5-carbonylchloride;1,3-Dioxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride;4-(Chlorocarbonyl)phthalic anhydride;4-(Chloroformyl)phthalic anhydride;Anhydrotrimellitic acid chloride;NSC 89728;Trimellitic acid anhydride4-monoacid chloride;Trimellitic acid anhydride chloride;Trimellitic anhydrideacid chloride;Trimellitic anhydride chloride;Trimellitic anhydride monoacidchloride;Trimellitic anhydride monochloride;
EINECS: 214-874-8
Density: 1.632g/cm3
Melting Point: 66-69 ºC
Boiling Point: 391.4°Cat760mmHg
Flash Point: 186.3°C
Solubility: decomposes
Appearance: white crystalline solid
Hazard Symbols:
Risk Codes: R29;R34
Safety: S26;S36/37/39;S45
Transport Information: UN 3261
PSA: 60.44000
LogP: 1.37620
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    1,2,4-trimellitic anhydride acid chloride Melting point 66-68 °C (lit.) Storage conditions 2-8 ° C Water solubility decomposes Sensitivity Moisture Sensitive BRN 610823 CAS Database 1204-28-0 (CAS DataBase Reference) NIST Chem

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Specification

The 4-Chloroformylphthalic anhydride with cas registry number of 1204-28-0 has an appearance of white crystalline solid. It is also known as 1,2,4-Benzenetricarboxylic anhydride acid chloride; Benzene-1,2,4-tricarboxylic 1,2-anhydride 4-chloride; Trimellitic anhydride acid chloride; TMAC. Both systematic name and IUPAC name are the same which is called 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carbonyl chloride. This chemical belongs to the categories in Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research with EINECS registry number of 214-874-8.

The Physical properties about this chemical are: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 9.53; (6)ACD/BCF (pH 7.4): 9.53; (7)ACD/KOC (pH 5.5): 174.83; (8)ACD/KOC (pH 7.4): 174.83; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 45.92 cm3; (14)Molar Volume: 128.9 cm3; (15)Surface Tension: 64.5 dyne/cm; (16)Density: 1.632 g/cm3; (17)Flash Point: 186.3 °C; (18)Enthalpy of Vaporization: 64.11 kJ/mol; (19)Boiling Point: 391.4 °C at 760 mmHg; (20)Vapour Pressure: 2.46E-06 mmHg at 25°C.

Uses of 4-Chloroformylphthalic anhydride: this chemical can be used to prepare 4-[(adamant-1-yl)oxycarbonyl]phthalic anhydride with adamantan-1-ol. This reaction occurs at temperature of 20 °C using reagent pyridine for 2 hours. The yield is about 55%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When contact with water it liberates toxic gas. Therefore, wear suitable protective clothing, gloves and eye/face protection if you are using this product. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you feel unwell, seek medical advice immediately. This chemical is sensitive to moisture. Store it at temp. 2-8°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)c1ccc2C(=O)OC(=O)c2c1;
(2)InChI: InChI=1/C9H3ClO4/c10-7(11)4-1-2-5-6(3-4)9(13)14-8(5)12/h1-3H;
(3)InChIKey: NJMOHBDCGXJLNJ-UHFFFAOYAD