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테레프타로일 크로라이드

Terephthaloyl chloride

HCID 7488
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
100-20-9
표준 SMILES
O=C(Cl)c1ccc(C(=O)Cl)cc1
InChIKey
LXEJRKJRKIFVNY-UHFFFAOYSA-N
분자식
C8H4Cl2O2
평균 분자량
203.02 g/mol
단동위원소 질량
201.95883473

개요

cross-links albumin

이름 및 식별자

우선 이름
Terephthaloyl chloride
IUPAC
benzene-1,4-dicarbonyl chloride
현지명
테레프타로일 크로라이드
영어명
Terephthaloyl chloride
분자식
C8H4Cl2O2
분자량
203.02

이름 및 동의어

Terephthaloyl chloride100-20-9Terephthaloyl dichloride1,4-BENZENEDICARBONYL DICHLORIDEp-Phthaloyl chlorideTerephthalic acid dichlorideTerephthalic dichloridep-Phthaloyl dichlorideTerephthalyl dichloridep-Phenylenedicarbonyl dichloride1,4-Benzenedicarbonyl chlorideDTXSID7026653
이름 더 보기
1,4-벤젠다이카보닐다이클로라이드테레프타로일크로라이드테레프탈로일염화물테레프탈로일염화물1,4-벤젠다이카보닐 다이클로라이드이염화 테레프탈로일TCLTerephtaloyl chloridebis(forMaldehyde)TEREPHTHALYL CHLORIDE1,4-dichloroformylbenzenep-PhthaL
NSC-41885G247CO9608DTXCID506653RefChem:4159231,4-phthaloyl dichloride202-829-5Terephthalic acid chloridebenzene-1,4-dicarbonyl chloride

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
4
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
12
형식 전하
0
복잡도
173

실험 및 물리화학적 성질

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

SOLUBLE IN ETHER

Solubility in water: reaction

Flash Point · 2건

356 °F

180 °C

Boiling Point · 3건

259 °C

264 °C

266 °C @760 [mm Hg]

Melting Point · 2건

82-84 °C

79.5-84 °C

Vapor PressureVapor pressure, Pa at 20 °C: 320
Food Contact Substances · 3건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

안전 및 규제

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

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 4건

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 · 1건

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]

화학 및 산업

용도 및 제조

Uses · 4건

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 · 2건

Plastics Material and Resin Manufacturing

1,4-Benzenedicarbonyl dichloride: ACTIVE

응용 분야 · 2건

용도Terephthaloyl 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.

일반 설명Terephthaloyl 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.

제조 방법

관련 반응

117건
반응 기록 만들기
HRID 21426 반응식
HRID 21426반응물로uspto-grants-1995_06
HRID 34889 반응식
HRID 34889생성물로uspto-grants-1988_08
HRID 53270 반응식
HRID 53270반응물로uspto-grants-1997_04
HRID 65884 반응식
HRID 65884생성물로uspto-grants-1978_12
HRID 65885 반응식
HRID 65885반응물로uspto-grants-1978_12
HRID 65886 반응식
HRID 65886생성물로uspto-grants-1978_12
HRID 65889 반응식
HRID 65889생성물로uspto-grants-1978_12
HRID 65890 반응식
HRID 65890생성물로uspto-grants-1978_12
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더보기
새 노트새 반응견적 요청하기

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

Physical Description · 3건

Large Crystals; Dry Powder

Colorless or white solid with pungent odor; [ICSC] White flakes; [MSDSonline]

WHITE POWDER OR COLOURLESS NEEDLES WITH PUNGENT ODOUR.

물리화학적 성질

녹는점
79 · 79-81 °C(lit.)
끓는 점
266 °C · 266 °C(lit.)
밀도
1 · 1,34 g/cm3
증기 밀도
7 · 7 (vs air)
증기압
0.02 mm · 0.02 mm Hg ( 25 °C)
굴절률
1.5684 · 1.5684 (estimate)
인화점
356 °F · 356 °F
저장 조건
2 · 2-8°C
용해도
5 %, · 에탄올: 5%, 투명
물리적 상태
플레이크
색상
흰색에서 거의 흰색
냄새
Pungent odor
수소이온지수(pH)
0.5 · <0.5 (H2O)
폭발한계
1.5 · 1.5-8.9%(V)
수용성
물과 반응
BRN
607796 · 607796
InChI
1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H
InChIKey
LXEJRKJRKIFVNY-UHFFFAOYSA-N
SMILES
ClC(=O)c1ccc(cc1)C(Cl)=O
NIST
1 · 1,4-Benzenedicarbonyl dichloride(100-20-9)
EPA
1 · 1,4-Benzenedicarbonyl dichloride (100-20-9)

화학적 성질

monoclinic crystals or white crystalline flakes. Soluble in ethanol and organic solvents.

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 · 2건

Skin Corr. 1A (11.2%)

Skin corrosion/irritation - Category 1

Skin, Eye, and Respiratory IrritationsSKIN IRRITANT.

안전 및 보호

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

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 · 1건

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.
Inhalation RiskA harmful concentration of airborne particles can be reached quickly when dispersed.
Skin PreventionProtective clothing. Protective gloves.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureThe substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Exposure could cause asphyxiation due to swelling in the throat. Inhalation may cause lung oedema.

독성 정보

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

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
WZ1797000
ridadr
UN 2923 8/PG 3
HS 번호
29173980
risk_code
34-23-35
hazard_code
C,T
safety_code
26-27-36/37/39-45-38-28B
포장분류
II
위험 등급
6.1
기존화학 물질
KE-02187
Hazard Classifications
Acute Tox. 3 InhalationEye Dam. 1Skin Corr. 1ASTOT SE 3
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
유해 물질 데이터
100-20-9(Hazardous Substances Data)
함량 및 규제정보
물질구분: 유독물질; 혼합물(제품)함량정보: 이염화 테레프탈로일[1,4-Benzenedicarbonyl dichloride; Terephthaloyl dichlorid; 100-20-9] 및 25% 이상 함유한 혼합물
유해화학물질 필터링
2023-1-1154
· 1건

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.

상·하류 제품 정보

상류 원료

p-자일렌염소(기체)포스포러스옥시클로라이드벤조트리클로라이드인 펜타염화물테레프탈산이소프탈알데히드이염화 아이소프탈로일

하류 제품

DacthalDimethyl popop파라-톨루엔설폰아마이드Benzoyl chloride, 4-(chlorodimethylsilyl)-2-Thiophenecarbonyl chloride3,8,15,20,27,32-헥사옥사테트라시클로[32.2.2.210,13.222,25]도테트라콘타-1(34-(tert-부톡시카르보닐)벤조산4-(메틸티오)벤조일클로라이드95디옥틸테레프탈레이트4-Iodobenzoyl chlorideN,N'-비스[5-(벤조일아미노)-9,10-디하이드로-9,10-디옥소-1-안트릴]테레프탈디아미드Vat Yellow 11