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rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione structure

CAS No:
24327-08-0
Formula:
C10H10O3
Chemical Name:
rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione
Synonyms:
4,7-Ethanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydro-,(3aR,4S,7R,7aS)-rel-;Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride,cis-endo-;4,7-Ethanoisobenzofuran-1,3-dione,3a,4,7,7a-tetrahydro-,(3aα,4α,7α,7aα)-;rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione;Bicyclo[2.2.2]octene-2,3-endo-dicarboxylic anhydride;endo-Bicyclo[2.2.2]octenedicarboxylic acid anhydride;endo-Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride;NSC 238003;cis-endo-[2.2.2]Oct-5-ene-2,3-dicarboxylic anhydride;3769-14-0;841234-99-9

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Description

WHITE TO BEIGE NEEDLE-LIKE CRYSTALS OR POWDER

rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione Basic Attributes

Molecular Weight：

178.18

Exact Mass：

178.18

EC Number：

246-171-7

NSC Number：

238003|4556

HScode：

29172090

Characteristics

PSA：

43.37000

XLogP3：

0.89820

Appearance：

White to beige needle-like crystals or powder

Density：

1.324g/cm3

Melting Point：

146 °C

Boiling Point：

270.41°C (rough estimate)

Flash Point：

166.5ºC

Refractive Index：

1.563

Vapor Pressure：

8.35E-05mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:178.18
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Exact Mass:178.062994177
Monoisotopic Mass:178.062994177
Topological Polar Surface Area:43.4
Heavy Atom Count:13
Complexity:288
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

rel-(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-ethanoisobenzofuran-1,3-dione

SDS

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