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테레프탈산

Terephthalic acid

HCID 4356128
노트반응

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

CAS
100-21-0
표준 SMILES
O=C([O-])c1ccc(C(=O)[OH2+])cc1
InChIKey
KKEYFWRCBNTPAC-UHFFFAOYSA-N
분자식
C8H6O4
평균 분자량
166.13 g/mol

이름 및 식별자

우선 이름
Terephthalic acid
현지명
테레프탈산
영어명
Terephthalic acid
분자식
C8H6O4
분자량
166.13

이름 및 동의어

테레프탈산테레프탈산PTATPA1,4-BENZENEDICARBOXYLIC ACIDTEREPHTHALATEP-PHTHALIC ACID1,4-dicarboxybenzenebenzenedicarboxylic acidTEREPHTALIC ACIDTerephthalic acid 98%TERPHTHALIC ACID

데이터베이스 식별자

CAS
100-21-0
PubChem CID
4356128

물성

물리화학적 성질

녹는점
300 °C · >300 °C (lit.)
끓는 점
214.32 °C · 214.32°C (rough estimate)
밀도
1.58 g/cm3 · 1.58 g/cm3 at 25 °C
증기압
0.01 mm · <0.01 mm Hg ( 20 °C)
굴절률
1.51 · 1.5100 (estimate)
인화점
260 °C · 260°C
저장 조건
Sealed in dry,Room Temperature
용해도
15 mg/l · 15mg/l(실험적)
물리적 상태
결정성 분말
산도 계수 (pKa)
3.51 · 3.51(at 25℃)
색상
하얀색
수소이온지수(pH)
3.36 · 3.36(1 mM solution);2.79(10 mM solution);2.26(100 mM solution)
수용성
물에 약간 용해됨(25°C에서 0,017g/L)
Merck
14 · 14,9162
BRN
1909333 · 1909333
Henry's Law Constant
2.5 · 2.5×107 mol/(m3Pa) at 25℃, HSDB (2015)
Dielectric constant
1.5 · 1.5(Ambient)
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey
KKEYFWRCBNTPAC-UHFFFAOYSA-N
SMILES
OC(=O)c1ccc(cc1)C(O)=O
LogP
2 at · 2 at 25℃
EPA
Terephthalic acid (100-21-0)
화학적 성질 · 1건

안전 및 규제

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

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
WZ0875000
독성
LD50 orally in Rabbit: > 6400 mg/kg
HS 번호
2917 36 00
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
기존화학 물질
KE-02190
자연 발화 온도
925 °F
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
100-21-0(Hazardous Substances Data)

화학 및 산업

응용 분야 · 4건

개요Terephthalic acid is the organic compound with formula C6H4(COOH)2. This colourless solid is a commodity chemical, used principally as a precursor to the polyester PET, used to make clothing and plastic bottles. Several million tones are produced annually. It is one of three isomeric phthalic acids.

역사Terephthalic acid came to prominence through the work of Winfield and Dickson in Britain around 1940. Earlier work by Carothers and coworkers in the United States established the feasibility of producing high molecular weight linear polyesters by reacting diacids with diols, but they used aliphatic diacids and diols. These made polyesters which were unsuitable to be spun into fibers. Winfield and Dickson found that symmetrical aromatic diacids yield high-melting, crystalline, and fiberforming materials; poly(ethylene terephthalate) (PET) has since become the largest volume synthetic fiber.

용도Terephthalic acid (TPA) is a benzenepolycarboxylic acid with potential anti-hemorrhagic properties. It is a high-tonnage chemical, widely used in the production of synthetic materials, notably polyester fibers (poly-(ethylene terephthalate)).

일반 설명White powder.

제조 방법 · 2건

The major commercial route to terephthalic acid which is suitable for the direct preparation of poly(ethylene terephthalate) is from p-xylene: p-Xylene is obtained largely from petroleum sources, being a product of the fractionation of reformed naphthas. The oxidation is carried out in the liquid phase. Typically, air is passed into a solution of p-xylene in acetic acid at about 200 and 2 MPa (20 atmospheres) in the presence of a catalyst system containing cobalt and manganese salts and a source of bromide ions. The terephthalic acid produced contains only small amounts of impurities (mainly p-carboxybenzaldehyde), which are readily removed. The acid is dissolved in water at about 2500 e and 5 MPa (50 atmospheres) and treated with hydrogen (which converts the aldehyde to p-toluic acid). The solution is then cooled to 100 and pure terephthalic acid crystallizes.

생산 방법Terephthalic acid is produced by oxidation of p-xylene by oxygen in air: This reaction proceeds through a p-toluic acid intermediate which is then oxidized to terephthalic acid. In p-toluic acid, deactivation of the methyl by the electron withdrawing carboxylic acid group makes the methyl one tenth as reactive as xylene itself, making the second oxidation significantly more difficult . The commercial process utilizes acetic acid as solvent and a catalyst composed of cobalt and manganese salts, with a bromide promoter.

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화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

Terephthalic acid is a white crystalline solid. Soluble in alkaline solution, slightly soluble in hot ethanol, insoluble in water, ether, glacial acetic acid and chloroform, consequently up until around 1970 most crude terephthalic acid was converted to the dimethyl ester for purification. It sublimates when heated.

상·하류 제품 정보

상류 원료

p-자일렌코발트(II) 아세테이트파라알데히드사브롬화에탄4-Formylbenzoic acid아세트산(빙초산)Bromide초산 망간(II)Manganese triacetate dihydrate파라-톨룰일산테레프탈 알데히드p-디브로모벤젠[4-(히드록시메틸)시클로헥실]메탄올

하류 제품

liquid crystalline heterocyclic polymer폴리(1,4-부티렌 테레프탈산염)tussah silk fabric aftertreatment finishing agent루미놀Unsaturated polyester resinauxiliary chrome tanning agentPigment Red 122테레프타로일 크로라이드폴리에틸렌 테레프탈산디메타크릴레이트 디에틸렌글리콜디메틸테레프탈레이트디옥틸 테레프탈산1,4-비스(트리플루오로메틸)벤젠1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester

공급사100 곳

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추가 설명 · 1건

정의ChEBI: Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. It is a conjugate acid of a terephthalate(1-).