Trichloroacetic anhydride (HCID 20079)

名称と識別子

優先名称: Trichloroacetic anhydride
IUPAC: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
現地名: トリクロロ酢酸無水物
英語名: TRICHLOROACETIC ANHYDRIDE
分子式: C4Cl6O3
分子量: 308.74

名称と別名

TRICHLOROACETIC ANHYDRIDE4124-31-6DTXSID00871055RefChem:191000DTXCID60818729223-925-3trichloroaceticanhydrideAcetic acid, trichloro-, anhydride(2,2,2-trichloroacetyl) 2,2,2-trichloroacetatetrichloracetic anhydrideMFCD00000793EINECS 223-925-3

名称をさらに表示

トリクロロ酢酸無水物ビス(トリクロロ酢酸)無水物ペルクロロ酢酸無水物無水トリクロロ酢酸トリクロロ酢酸無水物, 95%TCAA2,2,2-trichloroacetic anhydrideTrichloroaceticanhyrideTrichloroaceticAnhydride97%trichloro-aceticacianhydrideTrichloroacetic Anhydride 97%Bis(trichloroacetic)anhydride

Trichloroacetyl 2,2,2-trichloroacetatetrichloroacetic acid anhydrideAcetic acid, 2,2,2-trichloro-, 1,1'-anhydrideAcetic acid, trichloro-, anhydride; Trichloracetic anhydride; Trichloroacetic acid anhydridePerchloroacetic AnhydrideC4Cl6O32,?2,?2-Trichloro-?acetic Acid 1,?1'-?Anhydride; Trichloracetic Anhydride; Trichloroacetic acid anhydrideSCHEMBL150679

データベース識別子

CAS: 4124-31-6
PubChem CID: 20079
DTXSID: DTXSID00871055
EC Number: 223-925-3
Nikkaji: J150.161E

物性

構造計算による物性

XLogP: 3.6
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: 2
重原子数: 13
形式電荷: 0
複雑度: 201

実験および物理化学的性質

Chemical ClassesOther Classes -> Acid Anhydrides, Other

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

沸点: 139 · 139-141 °C/60 mmHg (lit.)
比重(密度): 1.69 g/mL · 1.69 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.484(lit.)
闪点: 98 · 98-100°C/11mm
溶解性: エーテルおよび酢酸と混和します。
外見: clear liquid
色: Colorless to Almost colorless
BRN: 980355 · 980355
Dielectric constant: 5 · 5.0
安定性: 安定。湿気に敏感 - 乾燥した環境で保管してください。強塩基および強酸化剤とは相容れない。
InChI: InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
InChIKey: MEFKFJOEVLUFAY-UHFFFAOYSA-N
SMILES: O(C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl
CAS データベース: 4124 · 4124-31-6(CAS DataBase Reference)
EPAの化学物質情報: Acetic acid, trichloro-, anhydride (4124-31-6)

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationAcetic acid, trichloro-, anhydride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryHydrolyzed by water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Pentafluoropropionic anhydride.

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 2915907098
risk_code: 22-35
安衛法: 変異原性物質
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II

化学と産業

用途と製造

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

応用分野 · 2 件

使用Trichloroacetic Anhydride is used in organometallic reactions as well as oxadiazole containing 5-lipoxygenase activating protein inhibitors.

一般的な説明Trichloroacetic anhydride is reported to be an efficient derivatization reagent, since it produces stable derivatives having both a higher mass fragmentation pattern and lesser volatility than derivatives of trifluoroacetic anhydride (TFAA) or heptafluorobutyric anhydride (HFBA). The interaction of thymidine 5′-phosphate with trichloroacetic anhydride in dimethylformamide and acetonitrile in the presence of tertiary amines hs been studied.