Acetic acid, 2,2-dichloro-, 1,1'-anhydride (HCID 77772)

名称と識別子

優先名称: Acetic acid, 2,2-dichloro-, 1,1'-anhydride
IUPAC: (2,2-dichloroacetyl) 2,2-dichloroacetate
現地名: ビス(ジクロロ酢酸)無水物
英語名: DICHLOROACETIC ANHYDRIDE
分子式: C4H2Cl4O3
分子量: 239.87

名称と別名

Dichloroacetic anhydride4124-30-5Acetic acid, dichloro-, anhydrideMB3OGR64INAcetic acid, 2,2-dichloro-, 1,1'-anhydrideNSC-401832DTXSID5041011RefChem:586728DTXCID3021011223-924-8Dichloroacetic acid anhydride(2,2-dichloroacetyl) 2,2-dichloroacetate

名称をさらに表示

ジクロロ酢酸無水物ビス(ジクロロ酢酸)無水物無水ジクロロ酢酸DICHOLOROACETIC ANHYDRIDEDichloroacetetic anhydridedichloro-aceticacianhydrideBIS(DICHLOROACETIC)ANHYDRIDEDichloroacetic anhydride 96%Dichloroacetic anhydride,98%dichloro-aceticacid-anhydrideanhydridkyselinydichloroctove

Anhydrid kyseliny dichloroctove2,2'-Dichloroacetic anhydrideUNII-MB3OGR64INEINECS 223-924-82,2-Dichloroacetic anhydrideNSC 401832Anhydrid kyseliny dichloroctove [Czech]BRN 0512173

データベース識別子

CAS: 4124-30-5
PubChem CID: 77772
DTXSID: DTXSID5041011
UNII: MB3OGR64IN
EC Number: 223-924-8
Nikkaji: J1.828G

物性

構造計算による物性

XLogP: 2.6
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: 4
重原子数: 11
形式電荷: 0
複雑度: 149

実験および物理化学的性質

Kovats Retention Index1248

物理化学的性質

融点: 30 °C · ~30 °C
沸点: 214 · 214-216 °C (lit.)
比重(密度): 1.574 g/mL · 1.574 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.483(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Acetonitrile (Soluble), Chloroform (Soluble)
外見: 融解後の液体
色: 無色透明
BRN: 512173 · 512173
安定性: Moisture sensitive
InChI: 1S/C4H2Cl4O3/c5-1(6)3(9)11-4(10)2(7)8/h1-2H
InChIKey: RQHMQURGSQBBJY-UHFFFAOYSA-N
SMILES: ClC(Cl)C(=O)OC(=O)C(Cl)Cl
CAS データベース: 4124 · 4124-30-5
EPAの化学物質情報: Acetic acid, dichloro-, anhydride (4124-30-5)

化学的性質

化学的特性clear colorless liquid after melting

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H311 (97.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (97.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)；Skin Corr. 1B (100%)；Acute Tox. 4 (97.5%)

法規制情報

Regulatory InformationDichloroacetic anhydride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F: 21
wgk: 3
tsca: TSCA listed
rtecs: AG6300000
ridadr: UN 2923 8/PG 3
hs_code: 29154000
risk_code: 20/21/22-34
hazard_code: C
hazard_note: Corrosive/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 4 InhalationEye Dam. 1Skin Corr. 1B
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2,2-dichloro-, 1,1'-anhydride: ACTIVE

応用分野

使用Dichloroacetic anhydride was employed as an acylating agent for acylation of 10-Deacetylbaccatin III using Pseudomonas cepacia. It was also used in the preparation of cellulose dichloroacetates.

一般的な説明Dichloroacetic anhydride is an acylating agent and was evaluated for inducing autoimmune responses.