1,2,3,6-Tetrahydrophthalimide

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Names

[ CAS No. ]:
85-40-5

[ Name ]:
1,2,3,6-Tetrahydrophthalimide

[Synonym ]:
3a,4,7,7a-tetrahydro-isoindole-3-dione
1,2,3,6-Tetrahydrophthalimide, 4-Cyclohexene-1,2-dicarboximide, THPI
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-
MFCD00042782
4-CYCLOHEXENE-1,2-DICARBOXIMIDE: THPI
3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione
4-CYCLOHEXENE-1,2-DICARBOXIMIDE
1,2,3,6-tertahydrophthalimide
EINECS 201-602-8
cis-4-Cyclohexene-1,2-dicarboximide
4-CYCLOHEXENE-1,2-DICARBOXYIMIDE
1,2,3,6-tetrahydrophthalimide
1,2,3,6-Tetraphthalimide

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
336.8±42.0 °C at 760 mmHg

[ Melting Point ]:
132-140°C

[ Molecular Formula ]:
C8H9NO2

[ Molecular Weight ]:
151.163

[ Flash Point ]:
165.0±28.0 °C

[ Exact Mass ]:
151.063324

[ PSA ]:
46.17000

[ LogP ]:
0.22

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.533

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GW4660000
CHEMICAL NAME :
4-Cyclohexene-1,2-dicarboximide
CAS REGISTRY NUMBER :
85-40-5
BEILSTEIN REFERENCE NO. :
0128764
LAST UPDATED :
199706
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H9-N-O2
MOLECULAR WEIGHT :
151.18
WISWESSER LINE NOTATION :
T56 BVMV GUTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
25 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
MOPMA3 Molecular Pharmacology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1965- Volume(issue)/page/year: 13,133,1977
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
100 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
MOPMA3 Molecular Pharmacology. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1965- Volume(issue)/page/year: 13,133,1977

Safety Information

[ Hazard Codes ]:
Xn

[ Safety Phrases ]:
S61

[ RIDADR ]:
UN 2922 8/PG 2

[ WGK Germany ]:
2

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2925190090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1,2,3,6-Tetrahydrophthalic anhydride
  • 2-(hydroxymethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

DownStream

  • N-BUTYL-1,2,3,6-TETRAHYDRONAPHTH-ALIMIDE
  • 1H-Isoindol-1-one,octahydro-
  • 2,3,3a,4,7,7a-Hexahydro-1H-isoindole
  • tert-Butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
  • tert-butyl 5-hydroxy-octahydrocyclopenta[c]pyrrole-2-carboxylate
  • cis-tert-Butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate
  • 2-(3-bromopropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
  • 2-octadecanoyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
  • 2-(2-oxopropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Customs

[ HS Code ]: 2925190090

[ Summary ]:
2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 1,2,3,6-tetrahydrophthalimide
  • cis-1,2,3,6-Tetrahydrophthalimide
  • Cis-1,2,3,6-Tetrahydrophthalimide
  • N-phenyl-1,2,3,6-tetrahydrophthalimide
  • N-benzyl-cis-1,2,3,6-tetrahydrophthalimide
  • 1,2,3,6-Tetrahydrophthalimide-3,3,4,5,6,6-d6
  • 7-Bromo-6,6-dimethylhept-3-ene
  • 4-(2-bromo-4,6-dimethoxyphenyl)-1H-imidazole
  • 2-bromo-1-{3H-[1,2,3]triazolo[4,5-b]pyridin-6-yl}ethan-1-ol
  • 4-(1-bromo-2-methylpropan-2-yl)-3-tert-butyl-1-methyl-1H-pyrazole
  • 3-[1-benzyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pyrrolidine-3-carbonyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
  • 4-(3-bromopropyl)-3-tert-butyl-1-methyl-1H-pyrazole
  • 2-Bromo-5-(2-methylcyclopropyl)furan
  • 1-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanoyl]-4-(methoxymethyl)piperidine-4-carboxylic acid
  • 2-(2-Bromoethyl)-3-ethylthiophene
  • 5-(2-bromoethyl)-1-(2-methylpropyl)-1H-pyrazole
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