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85-40-5

Basic information
1. Product Name: Tetrahydrophthalimide
2. Synonyms: 3a,4,7,7a-tetrahydro-1h-isoindole-3(2h)-dione;3a,4,7,7a-tetrahydro-isoindole-3-dione;3-alpha,4,7,7-alpha-tetrahydro-1h-isoindole-3(2h)-dione;delta(4)-tetrahydrophthalimide;delta(sup4)-tetrahydrophthalimide;TETRAHYDROPHTHALIMIDE;4-CYCLOHEXENE-1,2-DICARBOXIMIDE;1,2,3,6-TETRAHYDROPHTHALIMIDE
3. CAS NO:85-40-5
4. Molecular Formula: C₈H₉NO₂
5. Molecular Weight: 151.16
6. EINECS: 201-602-8
7. Product Categories: N/A
8. Mol File: 85-40-5.mol
9. Article Data: 15
Chemical Properties
1. Melting Point: 132-140°C
2. Boiling Point: 337°C
3. Flash Point: 165°C
4. Appearance: white crystalline powder
5. Density: 1.228
6. Vapor Pressure: 0.00011mmHg at 25°C
7. Refractive Index: 1.5810 (estimate)
8. Storage Temp.: Store below +30°C.
9. Solubility: Chloroform (Slightly), Methanol (Slightly)
10. PKA: 11.69±0.20(Predicted)
11. Water Solubility: 12.2g/L at 20℃
12. Stability: Light Sensitive
13. CAS DataBase Reference: Tetrahydrophthalimide(CAS DataBase Reference)
14. NIST Chemistry Reference: Tetrahydrophthalimide(85-40-5)
15. EPA Substance Registry System: Tetrahydrophthalimide(85-40-5)
Safety Data
1. Hazard Codes: N/A
2. Statements: N/A
3. Safety Statements: N/A
4. WGK Germany:
5. RTECS:
6. HazardClass: N/A
7. PackingGroup: N/A
8. Hazardous Substances Data: 85-40-5(Hazardous Substances Data)

Suppliers
Usage
SDS
Synthetic route
Upstream product
Downstream Products

85-40-5 Suppliers

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Product	FOB Price	Min.Order	Supply Ability	Supplier
Tetrahydrophthalimide Cas No: 85-40-5	USD $ 3.0-3.0 / Kilogram	1 Kilogram	1-100 Metric Ton/Month	Dayang Chem (Hangzhou) Co.,Ltd.	Contact Supplier
Tetrahydrophthalimide Cas No: 85-40-5	No Data	1 Kilogram	20 Metric Ton/Month	Henan Allgreen Chemical Co.,Ltd	Contact Supplier
Factory Supply 1,2,3,6-tetrahydrophthalimide Cas No: 85-40-5	No Data	1	1	Ality Chemical Corporation	Contact Supplier
manufacturer of Tetrahydrophthalimide high quality Cas No: 85-40-5	No Data	100 Gram	800 Kilogram/Month	Puyang Huicheng Electronic Material Co., Ltd	Contact Supplier
Tetrahydrophthalimide Cas No: 85-40-5	USD $ 1.0-1.0 / Kilogram	1 Kilogram	1000 Metric Ton/Year	Henan Sinotech Import&Export Corporation	Contact Supplier
TIANFUCHEM-- 85-40-5--Tetrahydrophthalimide in stock Cas No: 85-40-5	USD $ 2000.0-2000.0 / Metric Ton	1 Metric Ton	1000 Metric Ton/Day	Henan Tianfu Chemical Co., Ltd.	Contact Supplier
Pharmaceutical Grade CAS 85-40-5 with competitive price Cas No: 85-40-5	USD $ 139.0-210.0 / Kilogram	1 Kilogram	1000 Kilogram/Day	Zhuozhou Wenxi import and Export Co., Ltd	Contact Supplier
BLOOM TECH Advanced API/Technology support 3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione CAS 85-40-5 Cas No: 85-40-5	No Data	1 Gram	3 Metric Ton/Month	Shaanxi BLOOM TECH Co.,Ltd	Contact Supplier
CAS NO.:85-40-5 Cas No: 85-40-5	No Data	No Data	10000 Metric Ton/Month	Henan Wentao Chemical Product Co., Ltd.	Contact Supplier
Δ4-Tetrahydrophthalimide Cas No: 85-40-5	No Data	No Data	No Data	Chemwill Asia Co., Ltd.	Contact Supplier

85-40-5 Usage

Chemical Properties

white solid

Uses

1,2,3,6-Tetrahydrophthalimide, is shown to be urinary metabolites of the fungicide Captan (C175725) in rat and humans.

Flammability and Explosibility

Nonflammable

InChI: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)/t5-,6+

85-40-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	Tetrahydrophthalimide

1.2 Other means of identification

Product number	-
Other names	3a,4,7,7a-tetrahydro-isoindole-3-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:85-40-5 SDS

85-40-5Synthetic route

: 2028-12-8
4-cyclohexene 1-carboxylic acid 2-carboxamide

: 85-40-5
1,2,3,6-tertahydrophthalimide

Conditions

Conditions	Yield
In 1,3,5-trimethyl-benzene at 170℃; for 2.5h; Temperature; Solvent; Large scale;	95%

: 85-43-8
1,2,3,6-Tetrahydrophthalic anhydride

: 85-40-5
1,2,3,6-tertahydrophthalimide

Conditions

Conditions	Yield
With choline chloride; urea at 140℃; for 1h; Green chemistry;	81%
With complex<3THFMg2Cl2OTiNCO>6 In pyridine Heating; Yield given;

anhydride or dicarboxylic acid: anhydride or dicarboxylic acid

: 85-40-5
1,2,3,6-tertahydrophthalimide

Conditions

Conditions	Yield
With ammonia at 180℃;	74%

: 42027-93-0
N-Hydroxymethyl-cis-4-cyclohexene-1,2-dicarboximide

: 85-40-5
1,2,3,6-tertahydrophthalimide

Conditions

Conditions	Yield
at 100℃; Substitution; Thermolysis;

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 83809-94-3
1,10-bis(methoxymethyl)-1,10-diaza-18-crown-6

: 91043-68-4
C30H44N4O8

Conditions

Conditions	Yield
In benzene reflux; 20 deg C, 2 h;	99%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 75-87-6
chloral

: N-(1-Hydroxy-2,2,2-trichloroethyl)-cis-4-cyclohexene-1,2-dicarboximide

Conditions

Conditions	Yield
In ethanol for 2.5h; Addition; Heating;	99%

: 109-65-9
1-bromo-butane

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 2021-19-4
2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Ambient temperature;	97%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 2555-11-5
octahydro-1H-isoindol-1-one

Conditions

Conditions	Yield
With [Ru4H6(p-cumene)4]Cl2; hydrogen In water at 90℃; under 45003.6 Torr; for 22h;	97%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 54512-75-3
1-bromo-5-chloropentane

: 929224-25-9
2-(5-chloropentyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions

Conditions	Yield
With potassium carbonate In acetone at 20℃; for 60h;	92%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 928-96-1
(Z)-3-Hexen-1-ol

: 82478-58-8
((Z)-2-Hex-3-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions

Conditions	Yield
With dimethyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Ambient temperature; overnight;	90%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 141-32-2
acrylic acid n-butyl ester

: 1252935-87-7
butyl 3-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)propanoate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 1.5h; aza-Michael addition; Neat (no solvent);	90%

: 6940-78-9
4-chlorobutyl bromide

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 2-(4-chlorobutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃;	87%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 623-91-6
diethyl Fumarate

: 1252935-79-7
diethyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 2.5h; aza-Michael addition; Neat (no solvent);	85%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 732276-63-0
11-bromomethyl-tricosane

: 1266676-35-0
C32H57NO2

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 50℃; Inert atmosphere;	85%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 21911-68-2
ethyl 2-(p-tolylamino)acetate

: C19H22N2O4

Conditions

Conditions	Yield
With oxygen; copper(l) chloride In acetonitrile at 50℃; for 24h; Green chemistry; regioselective reaction;	85%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 541-41-3
chloroformic acid ethyl ester

: N-ethoxycarbonyl-1,2,3,6-tetrahydrophthalimide

Conditions

Conditions	Yield
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 4h;	82%

: 763-32-6
2-methyl-1-buten-4-ol

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 82478-57-7
2-(3-Methyl-but-3-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions

Conditions	Yield
With dimethyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Ambient temperature; overnight;	81%

: 182208-57-7
3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propylamine

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 2-[3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propyl]-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions

Conditions	Yield
In toluene Heating / reflux;	80%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 927-74-2
1-butyn-4-ol

: 82478-59-9
2-But-3-ynyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions

Conditions	Yield
With dimethyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Ambient temperature; overnight;	78%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 62360-00-3
(Z)-2-fluoro-3-phenylprop-2-enyl acetate

: 108-95-2
phenol

: (Z)-2-(2-phenoxy-3-phenylallyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(η3-allyl-μ-chloropalladium(II)); caesium carbonate In toluene at 80℃; for 16h; Inert atmosphere; regioselective reaction;	78%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 24424-99-5
di-tert-butyl dicarbonate

: 3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-carboxylic acid tert-butylester

Conditions

Conditions	Yield
Stage #1: 1,2,3,6-tertahydrophthalimide With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 60℃; for 18h; Stage #2: di-tert-butyl dicarbonate With triethylamine In dichloromethane at 0 - 20℃; for 21.5h;	77.3%

: 126689-79-0
methyl 2-(m-tolylamino)acetate

: 85-40-5
1,2,3,6-tertahydrophthalimide

: C18H20N2O4

Conditions

Conditions	Yield
With oxygen; copper(l) chloride In acetonitrile at 50℃; for 24h; Green chemistry; regioselective reaction;	77%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 14595-35-8
di-n-propyl fumarate

: 1252935-80-0
dipropyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 3.5h; aza-Michael addition; Neat (no solvent);	76%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 24424-99-5
di-tert-butyl dicarbonate

: 474925-37-6
(3aH,7aS)-tert-butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate

Conditions

Conditions	Yield
Stage #1: 1,2,3,6-tertahydrophthalimide With lithium aluminium tetrahydride In tetrahydrofuran for 24h; Heating; Stage #2: di-tert-butyl dicarbonate In dichloromethane for 1h; Further stages.;	73%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 109-64-8
1,3-dibromo-propane

: 56401-24-2
2-(3-bromopropyl)-3a,4.7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone at 40℃; for 8h;	72%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 105-75-9
dibutyl fumarate

: 1252935-81-1
dibutyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 3.5h; aza-Michael addition; Neat (no solvent);	72%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 20314-74-3
fumaric acid dipentyl ester

: 1252935-82-2
dipentyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 4h; aza-Michael addition; Neat (no solvent);	70%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 7299-55-0
pent-3-yn-2-one

: 2-((E)-4-Oxo-pent-2-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions

Conditions	Yield
With triphenylphosphine	69%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 19139-31-2
dihexyl fumarate

: 1252935-83-3
dihexyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 4.5h; aza-Michael addition; Neat (no solvent);	68%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 598-31-2
1-bromoacetone

: 54399-02-9
1-(Δ4-tetrahydrophthalimido)propan-2-one

Conditions

Conditions	Yield
With sodium ethanolate In ethanol for 2h; Heating;	64%

: 85-40-5
1,2,3,6-tertahydrophthalimide

: 20314-73-2
diheptyl fumarate

: 1252935-84-4
diheptyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 5h; aza-Michael addition; Neat (no solvent);	63%

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85-40-5

Basic information

Chemical Properties

Safety Data

85-40-5 Suppliers

Recommended suppliersmore

85-40-5 Usage

Chemical Properties

Uses

Flammability and Explosibility

85-40-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

1.Identification

1.1 GHS Product identifier

1.2 Other means of identification

1.3 Recommended use of the chemical and restrictions on use

1.4 Supplier's details

1.5 Emergency phone number

85-40-5Synthetic route

85-40-5Upstream product

85-40-5Downstream Products

85-40-5Recommend Products