826-62-0 (HCID 13223)

名称と識別子

優先名称: 826-62-0
IUPAC: 4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
現地名: 3a,4,7,7a-テトラヒドロ-4,7-メタノ-イソベンゾフラン-1,3-ジオン
英語名: Nadic anhydride
分子式: C9H8O3
分子量: 164.16

名称と別名

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

名称をさらに表示

4-オキサトリシクロ[5.2.1.02,6]デカ-8-エン-3,5-ジオンノルボルナ-5-エン-2,3-ジカルボン酸無水物ノルボルナン-5-エン-2,3-ジカルボン酸無水物4,7-メタノ-3a,4,7,7a-テトラヒドロイソベンゾフラン-1,3-ジオン4,7-メタノ-3a,4,7,7a-テトラヒドロ-イソベンゾフラン-1,3-ジオン(1R*,2S*,3R*,4S*)-ビシクロ[2.2.1]ヘプタ-5-エン-2,3-ジカルボン酸無水物4-オキサトリシクロ[5.2.1.02,6]デカン-8-エン-3,5-ジオン(1R*,2R*,3S*,4S*)-ビシクロ[2.2.1]ヘプタ-5-エン-2,3-ジカルボン酸無水物3a,4,7,7a-テトラヒドロ-4,7-メタノイソベンゾフラン-1,3-ジオン3a,4,7,7a-テトラヒドロ-4,7-メタノ-イソベンゾフラン-1,3-ジオンビシクロ[2.2.1]ヘプタ-5-エン-2,3-ジカルボン酸無水物エンドメチレンテトラヒドロフタル酸無水物ノルボルナ-2-エン-5,6-ジカルボン酸無水物水エンドメチレンテトラヒドロフタル酸無水エンドメチレンテトラヒドロフタル酸1,2,3,6-テトラヒドロ-3,6-メタノフタル酸無水物5-ノルボルネン-2,3-ジカルボン酸無水物ビシクロ[2.2.1]ヘプト-5-エン-2,3-ジカルボン酸無水物3，6-エンドメチレン-1，2，3，6-テトラヒドロフタル酸無水物(3AR,4S,7R,7AS)-3A,4,7,7A-テトラヒドロ-4,7-メタノイソベンゾフラン-1,3-ジオン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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.7
極性表面積: 43.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 277

実験および物理化学的性質

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic

Food Contact Substances · 3 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical Description · 2 件

Dry Powder

White powder; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 165 · 165-167 °C(lit.)
沸点: 251.61 °C · 251.61°C (rough estimate)
比重(密度): 1.2132 · 1.2132 (rough estimate)
屈折率: 1.526 · 1.5260 (estimate)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 0.1 g/10mL、無色透明 · ジエチルエーテル：可溶0.1g/10mL、無色透明
外見: powder to crystal
色: White to Almost white
比重: 1.25 · 1.250 (20/4℃)
Merck: 14 · 14,1796
BRN: 150228 · 150228
InChI: InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2
InChIKey: KNDQHSIWLOJIGP-UHFFFAOYSA-N
SMILES: C1(=O)C2C(C3CC2C=C3)C(=O)O1
LogP: -0.04 · -0.040 (est)
CAS データベース: 826 · 826-62-0(CAS DataBase Reference)
EPAの化学物質情報: 4 · 4,7-Methanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro- (826-62-0)

化学的性質

化学的特性white solid

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 6 件

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 件

Skin Sens. 1 (100%)

Eye damage - category 1

Eye Dam. 1

毒性情報

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

安全データ

F: 21
wgk: 3
tsca: TSCA listed
rtecs: DT5600000
ridadr: UN 1325
毒性: skn-rbt 500 mg/24H MLD 28ZPAK -,140,72
hs_code: 38220090
risk_code: 41-42/43
化審法: (4)-620
hazard_code: Xn
safety_code: 22-24-26-37/39
Hazard Classifications: Eye Dam. 1Resp. Sens. 1Skin Sens. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <5,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

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

応用分野 · 1 件

使用5-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).