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4-클로로프탈릭 무수물

4-Chlorophthalic anhydride

HCID 67044
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
118-45-6
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

4-Chlorophthalic anhydride118-45-65-chloroisobenzofuran-1,3-dione5-Chloro-2-benzofuran-1,3-dione4-chlorophthalic acid anhydride1,3-Isobenzofurandione, 5-chloro-5-chlorophthalic anhydrideBPI93D0O61EINECS 204-251-9UNII-BPI93D0O61P-CHLOROPHTHALIC ANHYDRIDEDTXSID30151993
이름 더 보기
4-클로로프탈릭무수물4-클로로프탈산무수물CHLOROPHTHALIC ANHYDRIDE4-ChlorophthalicChlorophtalicanhydre,95%4-Chlorophtalic anhydride4-Chlorophthalic anhydridoroisobenzofuran-1,3-dioneChlorophthalicAnhydride,4-
EC 204-251-9PHTHALIC ANHYDRIDE, 4-CHLORO-RefChem:98612DTXCID9074484204-251-9BTTRMCQEPDPCPA-UHFFFAOYSA-NInChI=1/C8H3ClO3/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3MFCD00152354

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

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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 · 3건

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

Hazard Classes and CategoriesSkin Irrit. 2 (57.1%)

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

General Manufacturing Information1,3-Isobenzofurandione, 5-chloro-: ACTIVE
응용 분야 · 1건

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 · 1건

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

상류 원료

4-클로로테트라히드로프탈산무수물

관련 반응

58건
반응 기록 만들기
HRID 10850 반응식
HRID 10850반응물로uspto-grants-2006_08
HRID 10866 반응식
HRID 10866반응물로uspto-grants-2006_08
HRID 42207 반응식
HRID 42207반응물로uspto-grants-2013_09
HRID 149694 반응식
HRID 149694반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 158143 반응식
HRID 158143반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 159767 반응식
HRID 159767생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 173778 반응식
HRID 173778반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 190428 반응식
HRID 190428반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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