2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione | CAS No. 85-40-5

2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione

Basic Information

CAS Number

85-40-5

Molecular Formula

C8H9NO2

Molecular Weight

151.16 g/mol

EINECS

201-602-8

AD

Basic Physical Properties

Physical State

No data avaiable

Melting Point

132-140 ºC

Boiling Point

337 ºC

Density

1.228

Water Solubility

12.2g/L at 20℃

Flash Point

165 ºC

Refractive Index

1.5810 (estimate)

Vapor Pressure

0.0±0.7 mmHg at 25°C

C1C=CCC2C1C(=O)NC2=O

InChI

InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)

InChIKey

CIFFBTOJCKSRJY-UHFFFAOYSA-N

LogP

0.22519999999999984

pKa

11.69±0.20(Predicted)

Topological Polar Surface Area

46.17 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

221

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

Store below +30°C.

Synonyms & References

English

  • EC 201-602-8
  • HMS1722F15
  • CHEMBL3187796
  • MFCD00005880
  • Z56893117
  • 4-Cyclohexene-1,2-dicarboximide
  • FT-0739667
  • 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
  • SB66392
  • Isoindole-1, 3a,4,7,7a-tetrahydro-
  • NSC 59011
  • EINECS 201-602-8
  • 1,2,3,6-Tetrahydro phthalimide
  • 1H-Isoindole-1,3(2H)-dione, 3-alpha,4,7,7-alpha-tetrahydro-
  • 3a,4,7,7a-tetrahydroisoindole-1,3-dione
  • CCRIS 3648
  • 3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione
  • AKOS016842521
  • NCGC00255076-01
  • NSC59011
  • CAS-85-40-5
  • CIFFBTOJCKSRJY-UHFFFAOYSA-
  • 3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione
  • NSC-59011
  • 3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione #
  • Tetrahydrophthalimide (VAN)
  • FT-0675043
  • 3a,4,7,7a-Tetrahydro-cis-1H-Isoindole-1,3(2H)-dione
  • 1,3,6-Tetrahydrophthalimide
  • InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
  • FT-0655614

MDL Number

MFCD00042782

EC Number

201-602-8

Customs Code

2925190090

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