テレフタロイルクロリド

Terephthaloyl chloride

HCID 7488CAS 100-20-9

基本情報

標準SMILES
O=C(Cl)c1ccc(C(=O)Cl)cc1
InChIKey
LXEJRKJRKIFVNY-UHFFFAOYSA-N
分子式
C8H4Cl2O2
平均分子量
203.02 g/mol
単同位体質量
201.95883473

概要

cross-links albumin

名称と識別子

優先名称
Terephthaloyl chloride
IUPAC
benzene-1,4-dicarbonyl chloride
現地名
テレフタロイルクロリド
英語名
Terephthaloyl chloride
分子式
C8H4Cl2O2
分子量
203.02

名称と別名

Terephthaloyl chloride100-20-9Terephthaloyl dichloride1,4-BENZENEDICARBONYL DICHLORIDEp-Phthaloyl chlorideTerephthalic acid dichlorideTerephthalic dichloridep-Phthaloyl dichlorideTerephthalyl dichloridep-Phenylenedicarbonyl dichloride1,4-Benzenedicarbonyl chlorideDTXSID7026653
名称をさらに表示
テレフタロイルクロリド1,4-ベンゼンジカルボン酸ジクロリドベンゼン-1,4-ジカルボン酸1,4-ジクロリドテレフタロイルジクロリド1,4-ベンゼンジ(カルボニルクロリド)1,4-ビス(クロロホルミル)ベンゼンp-フタロイルクロリドp-フタル酸ジクロリド二塩化テレフタロイルテレフタル酸ジクロリドベンゼン1,4-ジカルボン酸ジクロリドベンゼン-1,4-ジカルボン酸ジクロリドテレフタル酸クロリドテレフタロイル=ジクロリド塩化テレフタロイルテレフタル酸クロライド塩化テレフタロイル, 99%TCLTerephtaloyl chloridebis(forMaldehyde)TEREPHTHALYL CHLORIDE1,4-dichloroformylbenzenep-PhthaL
NSC-41885G247CO9608DTXCID506653RefChem:4159231,4-phthaloyl dichloride202-829-5Terephthalic acid chloridebenzene-1,4-dicarbonyl chloride

データベース識別子

CAS
100-20-9
PubChem CID
7488
DTXSID
DTXSID7026653
ChEMBL
CHEMBL1893301
UNII
G247CO9608
EC Number
202-829-5
Nikkaji
J4.979D

物性

構造計算による物性

XLogP
4
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
12

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesBoiling point
LogP0.88 (calculated)
Density1.32 g/cm³
Color/FormCOLORLESS NEEDLES
Solubility · 2 件

SOLUBLE IN ETHER

Solubility in water: reaction

物理化学的性質

融点
79 · 79-81 °C(lit.)
沸点
266 °C · 266 °C(lit.)
比重(密度)
1 · 1,34 g/cm3
蒸気密度
7 · 7 (vs air)
蒸気圧
0.02 mm · 0.02 mm Hg ( 25 °C)
屈折率
1.5684 · 1.5684 (estimate)

化学的性質

化学的特性monoclinic crystals or white crystalline flakes. Soluble in ethanol and organic solvents.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 88.7% (2008 of 2263) of all reports.

Danger

H314 (11.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2263 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,4-Benzenedicarbonyl dichloride

1,4-Benzenedicarbonyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Benzenedicarbonyl dichloride 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: 29-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13172

Terephthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
Hazards Summary · 1 件

A reproductive effector; Causes asphyxiation by upper airway obstruction after lethal-dose inhalation studies of mice; [RTECS] Dust/air mixture may be explosive; Reacts with water producing hydrogen chloride; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause upper airway edema and pulmonary edema; [ICSC] A skin irritant; [HSDB] Reacts with water; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; A lachrymator; Inhalation may cause chemical pneumonitis; Effects in high-dose animal studies include lacrimation, changes in renal tubules and other changes to the brain; [MSDSonline]

Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes. Reacts with strong oxidants. Reacts with water. This produces hydrogen chloride (see ICSC 0163). Attacks many metals in the presence of water.
Physical DangersDust explosion possible if in powder or granular form, mixed with air.
Hazard Classes and Categories · 2 件

Skin Corr. 1A (11.2%)

Skin corrosion/irritation - Category 1

安全と保護具

Fire FightingUse dry sand, powder, carbon dioxide. NO hydrous agents.
First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .

Safe StorageSeparated from strong oxidants. Dry. Well closed. Do NOT store or transport in containers made from metal.
Spillage Disposal · 1 件

Personal protection: chemical protection suit and particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered plastic containers. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles or eye protection in combination with breathing protection.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesSerious by all routes of exposure.
Signs and Symptoms · 4 件

Cough. Sore throat. Burning sensation. Laboured breathing. Shortness of breath. Symptoms may be delayed.

Redness. Pain. Skin burns.

Redness. Pain. Blurred vision. Severe deep burns.

Abdominal pain. Nausea. Vomiting. Diarrhoea. Shock or collapse.

Toxicity DataLC50 (rat) = 700 mg/m3/4h

安全データ

wgk
3
tsca
TSCA listed
rtecs
WZ1797000
ridadr
UN 2923 8/PG 3
hs_code
29173980
risk_code
34-23-35

化学と産業

用途と製造

Uses · 4 件

Used in dyes, synthetic fibers, resins, films, pharmaceuticals, rubber chemicals, and as a cross-linking agent for polyurethanes and polysulfides; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

DYE MANUFACTURE; SYNTHETIC FIBERS, RESINS, FILMS; ULTRAVIOLET ABSORPTION; PHARMACEUTICALS; RUBBER CHEMICALS

CROSS-LINKING AGENT FOR POLYURETHANES AND POLYSULFIDES

U.S. Production2023: 250,000 - <400,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

1,4-Benzenedicarbonyl dichloride: ACTIVE

応用分野 · 3 件

用途芳香族ポリエステル等の耐熱ポリマ-原料アラミド繊維?合成樹脂?染料?顔料原料、紫外線吸収剤

使用Terephthaloyl chloride acts as a monomer with p-phenylenediamine used in the preparation of polymer viz. poly paraphenylene terephthalamide. It is an active component in performance polymers and aramid fibers, which gives flame resistance, chemical resistance, temperature stability, light weight, and very high strength. It is also used as an effective water scavenger, utilized to stabilize isocyanates and urethane prepolymers. Further, it is used in the preparation of liquid crystalline thermosets by thermal cyclotrimerization of dicyanate compounds of ring substituted bis(4-hydroxyphenyl) terepthalates. In addition to this, it is involved in the condensation reaction with difunctional alfa, μ-diaminopolystyrene to get chain-extended polystyrene containing amide bonds along the polymer backbone.

一般的な説明Terephthaloyl chloride undergoes condensation reaction with difunctional α,ω-diaminopolystyrene to yield chain-extended polystyrene containing amide bonds along the polymer backbone. It undergoes interfacial reaction with bovine serum albumin to form thin cross-linked films.

調製方法 · 2 件

製造方法Synthesis of terephthaloyl chloride by thionyl chloride method: terephthalic acid is mixed with thionyl chloride, refluxed at 80℃ for 10-12h, then the thionyl chloride is evaporated, and the resulting crude product is distilled under reduced pressure to obtain the finished product.

純化方法Crystallise the acid chloride from dry hexane. [Beilstein 9 IV 3318.]

サプライヤー50 社

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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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