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5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione

5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione structure

CAS No:
14737-08-7
Formula:
C8H7ClO3
Chemical Name:
5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione
Synonyms:
1,3-Isobenzofurandione,5-chloro-3a,4,7,7a-tetrahydro-;4-Cyclohexene-1,2-dicarboxylic anhydride,4-chloro-;5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione;4-Chloro-4-cyclohexene-1,2-dicarboxylic anhydride;4-Chloro-1,2,3,6-tetrahydrophthalic anhydride;4-Chlorotetrahydrophthalic anhydride

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5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione Basic Attributes

Molecular Weight：

186.59238

Exact Mass：

186.59

Characteristics

PSA：

43.4

XLogP3：

1.1

Density：

1.3245 (rough estimate)

Melting Point：

123-124 °C @ Solvent: Acetone

Boiling Point：

266.91°C (rough estimate)

Refractive Index：

1.5110 (estimate)

Toxicity：

Oral-rat LD50: 3390 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic chloride fumes

Safety Information

Storage features：

The warehouse is low-temperature, ventilated and dry

Toxicity

Toxicity class：

moderately toxic

Computed Properties

Molecular Weight:186.59
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Exact Mass:186.0083718
Monoisotopic Mass:186.0083718
Topological Polar Surface Area:43.4
Heavy Atom Count:12
Complexity:282
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione

Basic Attributes
Characteristics
Safety Information
Toxicity
Computed Properties

5-Chloro-3a,4,7,7a-tetrahydro-1,3-isobenzofurandione

SDS

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