1,2,3,6-四氢邻苯二甲酰亚胺

Description

1,2,3,6-tetrahydrophthalimide · CAS 85-40-5 · C8H9NO2. Melting Point: 137 °C; Flash Point: 190 °C.

Identification

CAS Registry Number	85-40-5
PubChem CID	6808
Molecular formula	C8H9NO2
IUPAC name	3a,4,7,7a-tetrahydroisoindole-1,3-dione

Computed Descriptors

Molecular Weight	151.16
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	151.063328530
Monoisotopic Mass	151.063328530
Topological Polar Surface Area	46.2
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Melting Point	137 °C
Flash Point	190 °C

Physical description & handling notes

• Solid; [IUCLID]
• Crystals from ethanol
• When heated to decomposition it emits toxic vapors of /Nitrogen oxides/
• 132.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8026513]

Documented Uses

• Used as a chemical intermediate for the fungicides Captan and Captafol; [HSDB]
• Captan is produced by reaction of 1,2,3,6-tetrahydrophthalimide with trichloromethanesulfenyl chloride (perchloromethylmercaptan) in the presence of sodium hydroxide.
• REACTION OF TETRACHLOROPHTHALIC ANHYDRIDE WITH AMMONIA
• ESSENTIALLY 100% AS A CHEMICAL INTERMEDIATE
• (1977) PROBABLY GREATER THAN 2.27X10+6 GRAMS
• (1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Synonyms

85-40-5; 1,2,3,6-TETRAHYDROPHTHALIMIDE; 4-Cyclohexene-1,2-dicarboximide; Tetrahydrophthalic acid imide; 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-; delta(4)-Tetrahydrophthalimide; DTXSID8026513; delta(sup 4)-Tetrahydrophthalimide; NSC 59011; CCRIS 3648; HSDB 5006; EINECS 201-602-8; Isoindole-1,3-dione, 3a,4,7,7a-tetrahydro-; BRN 0128764; DTXCID106513; EC 201-602-8

Frequently Asked Questions

What are the CAS number and molecular formula of 1,2,3,6-tetrahydrophthalimide?

CAS 85-40-5; molecular formula C8H9NO2; molecular weight — g/mol.

What other names is 1,2,3,6-tetrahydrophthalimide known by?

85-40-5, 1,2,3,6-TETRAHYDROPHTHALIMIDE, 4-Cyclohexene-1,2-dicarboximide, Tetrahydrophthalic acid imide, 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-, delta(4)-Tetrahydrophthalimide.

What are the key physical properties of 1,2,3,6-tetrahydrophthalimide?

Melting Point: 137 °C; Flash Point: 190 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.