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テトラクロロフタル酸0.5水和物

Tetrachlorophthalic acid

HCID 12442
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
110471-67-5
標準SMILES
O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O
InChIKey
WZHHYIOUKQNLQM-UHFFFAOYSA-N
分子式
C8H2Cl4O4
平均分子量
303.9 g/mol
単同位体質量
301.870719

概要

Tetrachlorophthalic acid is a colorless plates. (NTP, 1992)

名称と識別子

優先名称
Tetrachlorophthalic acid
IUPAC
3,4,5,6-tetrachlorophthalic acid
現地名
テトラクロロフタル酸0.5水和物
英語名
Tetrachlorophthalic acid
分子式
C8H2Cl4O4
分子量
303.91

名称と別名

TETRACHLOROPHTHALIC ACID632-58-6Phthalic acid, perchloro-Phthalic acid, tetrachloro-1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-3,4,5,6-Tetrachloro-1,2-benzenedicarboxylic acidEINECS 211-181-2W0ENH3M7X7NSC 193510BRN 1914906AI3-16302NSC-193510
名称をさらに表示
テトラクロロフタル酸0.5水和物テトラクロロフタル酸3,4,5,6-テトラクロロフタル酸3,4,5,6-テトラクロロ-1,2-ベンゼンジカルボン酸テトラクロロフタル酸 HEMIHYDRATETIMTEC-BB SBB001247RARECHEM AL BO 1285tetrachloro-phthalicaciTetrachlorophthalicacid,hemihTETRACHLOROPHTHALIC ACID HEMIHYDRATETetrachlorophthalic Acid Hemihydrate>Tetrachloro-1,2-benzenedicarboxylic acid3,4,5,6-tetrachloro-2-benzenedicarboxylicacid3,4,5,6-tetrachloro-1,2-benzenedicarboxylicacid
DTXSID60608963-09-00-04205 (Beilstein Handbook Reference)Tetrachloro-1,2-benzenedicarboxylic acidRefChem:896817DTXCID6043753211-181-23,4,5,6-Tetrachlorophthalic acidMFCD00053309

物性

構造計算による物性

XLogP
3.5
極性表面積
74.6 Ų
水素結合供与体数
2
水素結合受容体数
4
回転可能結合数
2
重原子数
16
形式電荷
0
複雑度
280

実験および物理化学的性質

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
SolubilitySparingly soluble (NTP, 1992)
Melting Point208 °F (NTP, 1992)
Physical DescriptionTetrachlorophthalic acid is a colorless plates. (NTP, 1992)

物理化学的性質

融点
98 °C · 98°C
沸点
418.21 °C · 418.21°C (rough estimate)
比重(密度)
1.8331 · 1.8331 (rough estimate)
屈折率
1.5282 · 1.5282 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
soluble in Methanol
外見
powder to crystal
酸解離定数(Pka)
0.55 · 0.55±0.32(Predicted)
色
White
水溶解度
難溶性
安定性
安定。強力な酸化剤とは相容れない。
CAS データベース
632 · 632-58-6(CAS DataBase Reference)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

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 3 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 Information1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-: 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.
Fire HazardsFlash point data for this chemical are not available; it is probably combustible. (NTP, 1992)
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 件

A chlorinated organic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in it to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions.

化学と産業

用途と製造

General Manufacturing Information1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrachloro-: ACTIVE

応用分野

使用Dyes, intermediates.

一般的な説明Colorless plates.

上流・下流製品情報

上流原料

2-amino-4,5,6,7-tetrachloro-1H-isoindole-1,3(2H)-dione1,2,3,4,5,6,8-ヘプタクロロナフタレン1,2,3,4,5-ペンタクロロナフタレン1,2,3,4,5,6,7,8-オクタクロロナフタレン塩化フタロイルテトラクロロフタル酸無水物硝酸フタル酸無水物

下流製品

ペンタクロロベンゼン3,4,5,6-テトラクロロフタル酸ジメチル

関連反応

3 件
反応記録を作成
HRID 276746 の反応式
HRID 276746反応物としてuspto-grants-2002_03
HRID 991398 の反応式
HRID 991398反応物としてuspto-grants-2002_10
HRID 1995184 の反応式
HRID 1995184生成物としてuspto-grants-1983_09

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

データベース識別子

CAS
110471-67-5、632-58-6
PubChem CID
12442
DTXSID
DTXSID6060896
UNII
W0ENH3M7X7
EC Number
211-181-2
Nikkaji
J146.988F
EPAの化学物質情報
Tetrachlorophthalic acid (632-58-6)

化学的性質

化学的特性colourless crystals

Air and Water ReactionsSparingly water soluble.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

tsca
TSCA listed
rtecs
TI2795000
hs_code
2917.39.7000
risk_code
36/37/38
化審法
(3)-62
safety_code
36/37/39
3,4,5,6-テトラクロロフタルイミド

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