基本情報
- 標準SMILES
O=C1OC(=O)c2cc(Cl)ccc21- InChIKey
BTTRMCQEPDPCPA-UHFFFAOYSA-N- 分子式
- C8H3ClO3
- 平均分子量
- 182.56 g/mol
- 単同位体質量
- 181.97707164
名称と識別子
- 優先名称
- 4-Chlorophthalic anhydride
- IUPAC
- 5-chloro-2-benzofuran-1,3-dione
- 現地名
- 4-クロロフタル酸無水物
- 英語名
- 4-Chlorophthalic anhydride
- 分子式
- C8H3ClO3
- 分子量
- 182.56
名称と別名
名称をさらに表示
データベース識別子
- CAS
118-45-6- PubChem CID
- 67044
- DTXSID
DTXSID30151993- UNII
- BPI93D0O61
- EC Number
- 204-251-9
- Nikkaji
- J141.265E
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 43.4 Ų
- 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
- 12
- 形式電荷
- 0
- 複雑度
- 238
物理化学的性質
- 融点
- 96 °C · 96°C
- 沸点
- 290 °C · 290 °C
- 比重(密度)
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.058 · 0.058-0.058Pa at 25℃
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- soluble in Toluene
- 外見
- Solid:particulate/powder
- 色
- White to Almost white
- InChI
- InChI=1S/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3H
- InChIKey
- BTTRMCQEPDPCPA-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(Cl)C=C2)C(=O)O1
- LogP
- 2.713 · 2.713
- CAS データベース
- 118 · 118-45-6(CAS DataBase Reference)
化学的性質
化学的特性4-Chlorophthalic anhydride has a melting point of around 99 °C. Like most acid anhydrides, it can hydrolyze in the presence of water.
安全と法規制
GHS分類
GHS Classification
Danger
H315 (57.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 7 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
Regulation (EC) No 1935/2004 (amended)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 18-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/12546
安全データ
- tsca
- TSCA listed
- hs_code
- 2932990090
- risk_code
- 36/37/38
- 化審法
- (3)-62
- safety_code
- 26-36/37/39
化学と産業
用途と製造
応用分野
使用4-chlorophthalic anhydride is an important monomer synthesis of polyimide and polyimide is considered to be the highest tolerance has been industrialized in the polymer and the shape and chemical stability of other materials can not like the outburst strength, wear resistance and extreme temperatures, excellent, has been widely used in aviation, aerospace, microelectronics and atom to the field of high technology. 4- of 4-chlorophthalic anhydride is mainly used in the synthesis of diphenyl ether dianhydride anhydride, two single and two double ether, thioether dianhydride anhydride two, two, and two amine polymerization ring was a series of polyimide engineering plastic with excellent performance. 4- of 4-chlorophthalic anhydride is not only the ideal raw material for the synthesis of various intermediates of polyimide, and can be used as a drug or pesticide.
調製方法
製造方法A preparation method of 4-chlorophthalic anhydride uses monosodium phthalic acid as a raw material, uses water as a medium, uses a weak alkali solution as a pH regulator of a reaction system, and directly performs chlorination reaction with chlorine gas. The weak alkali solution is used as the pH regulator of the reaction system, which is beneficial to stabilizing the pH value of the reaction system, and can obtain high-yield 4-chlorophthalic acid monosodium coarse salt. The crude salt is desalted, dehydrated and closed to obtain a crude product of 4-chlorophthalic anhydride, which is purified by rectification to obtain high-purity 4-chlorophthalic anhydride.
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上流原料
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