826-62-0

HCID 13223
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Basic information

CAS
129-64-6
Standard SMILES
O=C1OC(=O)C2C3C=CC(C3)C12
InChIKey
KNDQHSIWLOJIGP-UHFFFAOYSA-N
Molecular formula
C9H8O3
Average molar mass
164.16 g/mol
Monoisotopic mass
164.04734412

Names & identifiers

Preferred name
826-62-0
IUPAC
4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
English name
Nadic anhydride
Molecular formula
C9H8O3
Molecular weight
164.16

Names & synonyms

826-62-05-Norbornene-2,3-dicarboxylic anhydride2-Norbornene-5,6-dicarboxylic anhydride4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-3,6-Endomethylenetetrahydrophthalic anhydride5-Norbornene-2,3-dicarboxylic acid anhydrideDTXSID0047456NSC 3999EINECS 212-557-91,2,3,6-Tetrahydro-3,6-methanophthalic anhydride3,6-Methylene-1,2,3,6-tetrahydrophthalic anhydridecis-3,6-Endomethylene-1,2,3,6-tetrahydropthalic anhydride
Show more names
NADIC ANHYDRIDE(3aR,4S,7R,7aS)-3a,4,7,7a-Tetrahydro-4,7-Methanoisobenzofuran-1,3-dione3A,4,7,7A-TETRAHYDRO-4,7-METHANOISOBENZOFURAN-1,3-DIONEHIMIC ANHYDRIDE3,6-ENDOMETHYLENE-1,2,3,6-TETRAHYDROPHTHALIC ANHYDRIDENADIC ANHYDRIDE 98%NA-anhydridedic anhydrous
DTXCID8027456Anhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftaloveAnhydrid kyseliny 3,6-endomethylen-delta(sup 4)-tetrahydroftalove [Czech]RefChem:1073682Norbornene5,6dicarboxylic anhydrideCyclopentadienemaleic anhydride adduct3,6Endomethylenetetrahydrophthalic anhydride1,2,3,6Tetrahydro3,6methanophthalic anhydride

Database identifiers

CAS
129-64-6、2746-19-2、826-62-0
PubChem CID
13223
DTXSID
DTXSID0047456
ChEMBL
CHEMBL268522
EC Number
212-557-9
Nikkaji
J41.836F

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic
Food Contact Substances · 3 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 2 items

Dry Powder

White powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
165 · 165-167 °C(lit.)
Boiling point
251.61 °C · 251.61°C (rough estimate)
Density
1.2132 · 1.2132 (rough estimate)
refractive index
1.526 · 1.5260 (estimate)
storage temp.
Inert atmosphere,Room Temperature
solubility
0.1 g/10 · diethyl ether: soluble0.1g/10 mL, clear, colorless

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P233, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 6 items

Chemical: 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-

Hazard Traits - Respiratory Toxicity

Regulation (EC) No 1935/2004 (amended)

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25593

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA mild skin and severe eye irritant; [RTECS] An irritant that may cause serious eye injury; May cause skin and respiratory sensitization; [Sigma-Aldrich MSDS] See ACID ANHYDRIDES.
Hazard Classes and Categories · 3 items

Skin Sens. 1 (100%)

Eye damage - category 1

Eye Dam. 1

Toxicology

Adverse EffectsAsthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

Safety data

F
21
wgk
3
tsca
TSCA listed
rtecs
DT5600000
ridadr
UN 1325
hs_code
38220090

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-: ACTIVE

Applications · 2 items

DescriptionThe substance 5-norbornene-2,3-dicarboxylic anhydride has a purity of approximately 99.5 % and consists of two isomers, cis-5-norbrene-endo-2,3-dicarboxylic anhydride (99.2 %) and cis-5-norbreneexo-2,3-dicarboxylic anhydride (0.3 %). It has an estimated log Po/w = 2.3. Due to its chemical nature as an anhydride it readily hydrolyses into the free diacid, norbornene-2,3-dicarboxylic acid. Therefore, migration into aqueous foodstuffs will also lead to the presence of the two isomeric diacids. Melting point of the substance is 163-165 °C.

Uses5-Norbornene-2,3-dicarboxylic anhydride, as a copolymer monomer in polyester can coatings up to 18.3 % w/w in the final dry coating, does not pose a safety concern to the consumer under sterilised conditions and prolonged contact with all foodstuffs (except beverages).

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]

Related reactions

35 records
New reaction record

Compound notes

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