Dichloromaleic anhydride (HCID 70728)

名称と識別子

優先名称: Dichloromaleic anhydride
IUPAC: 3,4-dichlorofuran-2,5-dione
現地名: 3,4-ジクロロフラン-2,5-ジオン
英語名: Dichloromaleic anhydride
分子式: C4Cl2O3
分子量: 166.95

名称と別名

Dichloromaleic anhydride2,3-Dichloromaleic anhydride2,5-Furandione, 3,4-dichloro-3,4-Dichloro-2,5-furandione2,3-Dichloromaleic acid anhydrideEINECS 214-343-0NSC 6052456CE3A79HBAI3-26596NSC-60524DTXSID1061526RefChem:133074

名称をさらに表示

ジクロロ無水マレイン酸ジクロロマレイン酸無水物2,3-ジクロロマレイン酸無水物3,4-ジクロロフラン-2,5-ジオン3,4-ジクロロ-2,5-フランジオン2,3-ジクロロマレイン酸水物2，2’-ジクロロ無水マレイン酸2,3-ジクロロマレイン酸(無水)Dichloromaleic acid anhydrideoromaL3,4-dichloro-5-furandioneMaleic anhydride, dichloro-3,4-Dichloro-furan-2,5-dione3,4-dichlorofuran-2,5-quinone

Maleic anhydride, dichloro2,3Dichloromaleic anhydride2,5Furandione, 3,4dichloroDTXCID2033281Maleic anhydride, dichloro (8CI)214-343-0AGULWIQIYWWFBJ-UHFFFAOYSA-N1122-17-4

データベース識別子

CAS: 1122-17-4
PubChem CID: 70728
DTXSID: DTXSID1061526
ChEMBL: CHEMBL2270558
UNII: 56CE3A79HB
EC Number: 214-343-0
Nikkaji: J100.277E

物性

構造計算による物性

XLogP: 1.5
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: 9
形式電荷: 0
複雑度: 196

実験および物理化学的性質

PolymersPlastics & Rubber -> Acid Anhydrides, Cyclic

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 120 °C · ~120 °C
沸点: 118 · 118-125 °C
比重(密度): 1.7168 · 1.7168 (estimate)
貯蔵温度: 2 · Inert atmosphere,2-8°C
溶解性: クロロホルム、メタノール（微熱）
外見: 個体
色: 白い
BRN: 121027 · 121027
InChI: InChI=1S/C4Cl2O3/c5-1-2(6)4(8)9-3(1)7
InChIKey: AGULWIQIYWWFBJ-UHFFFAOYSA-N
SMILES: O1C(=O)C(Cl)=C(Cl)C1=O
CAS データベース: 1122 · 1122-17-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2,5-Furandione, 3,4-dichloro-(1122-17-4)
EPAの化学物質情報: Dichloromaleic anhydride (1122-17-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 2,5-Furandione, 3,4-dichloro-

2,5-Furandione, 3,4-dichloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See Chloromaleic anhydride.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

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: 10-21
wgk: 3
tsca: TSCA listed
hs_code: 2932190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2,5-Furandione, 3,4-dichloro-: ACTIVE

応用分野

用途有機合成原料。

使用Dichloromaleic Anhydride is a derivative of Maleic Anhydride (M124400) found to have considerable antifungal activity against Botrytis cinerea.

調製方法 · 1 件

純化方法Purify the anhydride by sublimation in vacuo [Katakis et al. J Chem Soc, Dalton Trans 1491 1986]. It has also been purified by Soxhlet extraction with hexane, recrystallised from CHCl3 and sublimed [MS, Relles J Org Chem 37 3630 1972]. [Beilstein 17/11 V 63.]