기본 정보
- 표준 SMILES
O=C1OC(=O)c2cc(Cl)ccc21- InChIKey
BTTRMCQEPDPCPA-UHFFFAOYSA-N- 분자식
- C8H3ClO3
- 평균 분자량
- 182.56 g/mol
- 단동위원소 질량
- 181.97707164
이름 및 식별자
- 우선 이름
- 4-Chlorophthalic anhydride
- IUPAC
- 5-chloro-2-benzofuran-1,3-dione
- 현지명
- 4-클로로프탈릭 무수물
- 영어명
- 4-Chlorophthalic anhydride
- 분자식
- C8H3ClO3
- 분자량
- 182.56
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
118-45-6- PubChem CID
- 67044
- DTXSID
DTXSID30151993- UNII
- BPI93D0O61
- EC Number
- 204-251-9
- Nikkaji
- J141.265E
물성
구조 계산 물성
- XLogP
- 1.9
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 238
물리화학적 성질
- 녹는점
- 96 °C · 96°C
- 끓는 점
- 290 °C · 290 °C
- 밀도
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- 증기압
- 0.058 · 0.058-0.058Pa at 25℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 톨루엔에 용해됨
- 물리적 상태
- Solid:particulate/powder
- 색상
- 흰색에서 거의 흰색
- 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
화학적 성질
4-Chlorophthalic anhydride has a melting point of around 99 °C. Like most acid anhydrides, it can hydrolyze in the presence of water.
안전 및 규제
GHS 분류
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.
유해성 정보
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
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2932990090
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
화학 및 산업
용도 및 제조
응용 분야
용도4-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.
제조 방법
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.
상·하류 제품 정보
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공급사50 곳
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