기본 정보
- CAS
610-35-5- 표준 SMILES
O=C(O)c1ccc(O)cc1C(=O)O- InChIKey
MWRVRCAFWBBXTL-UHFFFAOYSA-N- 분자식
- C8H6O5
- 평균 분자량
- 182.13 g/mol
- 단동위원소 질량
- 182.02152329
개요
4-hydroxyphthalic acid is a hydroxybenzoic acid that is phthalic acid in which the hydrogen at position 4 is substituted by a hydroxy group. It is a hydroxybenzoic acid and a member of phenols. It is functionally related to a phthalic acid.
이름 및 식별자
- 우선 이름
- 4-Hydroxyphthalic acid
- IUPAC
- 4-hydroxyphthalic acid
- 영어명
- 4-Hydroxyphthalic acid
- 분자식
- C8H6O5
- 분자량
- 182.13
이름 및 동의어
4-Hydroxyphthalic acid610-35-54-hydroxybenzene-1,2-dicarboxylic acid1,2-Benzenedicarboxylic acid, 4-hydroxy-EINECS 210-221-6DTXSID8060585CHEBI:27600RefChem:524069DTXCID2042931210-221-6MFCD000139844-hydroxy-phthalic acid
이름 더 보기
AKOS 237-774-HydroxyphthaL3,4-DICARBOXYPHENOLRARECHEM AL BO 08084-HydroxyphthalicAcid>4-Hydroxyphthalic acid 98%4-Hydroxyphthalic acid,98%4-hydroxy phthalic acid 4-HPA4-Hydroxyphthalic acid, 98% 5GR
4-HydroxyphthalicacidOprea1_621275SCHEMBL177949SCHEMBL1805909SCHEMBL6631206SCHEMBL6631324SCHEMBL6632083SCHEMBL31298798
데이터베이스 식별자
- CAS
610-35-5- PubChem CID
- 11881
- DTXSID
DTXSID8060585- ChEBI
CHEBI:27600- EC Number
- 210-221-6
- Nikkaji
- J27.657J
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 94.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 225
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 191 · 191-194 °C
- 끓는 점
- 235.5 °C · 235.5°C (rough estimate)
- 밀도
- 1.3293 · 1.3293 (rough estimate)
- 굴절률
- 1.433 · 1.4330 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.13 · 3.13±0.10(Predicted)
- 색상
- 흰색에서 황백색까지
- 수용성
- 물과 약간 섞임.
- InChI
- InChI=1S/C8H6O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
- InChIKey
- MWRVRCAFWBBXTL-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=CC=C(O)C=C1C(O)=O
- EPA
- 1 · 1,2-Benzenedicarboxylic acid, 4-hydroxy- (610-35-5)
화학적 성질
off-white to white powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29182900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25
화학 및 산업
용도 및 제조
General Manufacturing Information1,2-Benzenedicarboxylic acid, 4-hydroxy-: INACTIVE
응용 분야
용도4-Hydroxyphthalic acid is used as a precursor to prepare 3,5-dichloro-4-hydroxyphthalic acid using the reagent aqueous acetic acid and chlorine. Further, it is also used as a starting material in the manufacture of N-(4-carboxyphenyl)-4-acetoxyphthalimide.
상·하류 제품 정보
상류 원료
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추가 설명
정의ChEBI: 4-hydroxyphthalic acid is a hydroxybenzoic acid that is phthalic acid in which the hydrogen at position 4 is substituted by a hydroxy group. It is a member of phenols and a hydroxybenzoic acid. It derives from a phthalic acid.
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