기본 정보
- CAS
1878-84-8- 표준 SMILES
O=C(O)COc1ccc(O)cc1- InChIKey
PKGWLCZTTHWKIZ-UHFFFAOYSA-N- 분자식
- C8H8O4
- 평균 분자량
- 168.15 g/mol
- 단동위원소 질량
- 168.04225874
개요
4-Hydroxypheoxyacetate is a monocarboxylic acid.
이름 및 식별자
- 우선 이름
- (4-Hydroxyphenoxy)acetic acid
- IUPAC
- 2-(4-hydroxyphenoxy)acetic acid
- 현지명
- (4-히드록시페녹시)아세트산
- 영어명
- 4-HYDROXYPHENOXYACETIC ACID
- 분자식
- C8H8O4
- 분자량
- 168.15
이름 및 동의어
1878-84-84-Hydroxyphenoxyacetic acid2-(4-Hydroxyphenoxy)acetic acid(4-Hydroxyphenoxy)acetic acid6E65R48EBNRefChem:524056217-525-84-HydroxypheoxyacetateAcetic acid, (4-hydroxyphenoxy)-Acetic acid, 2-(4-hydroxyphenoxy)-MFCD00014362(4-Hydroxy-phenoxy)-acetic acid
이름 더 보기
(4-히드록시페녹시)아세트산4-하이드록시페녹시아세트산(4-hydroxyphenoxy)-aceticaci2-(4-hydroxyphenoxy)aceticaci(P-HYDROXYPHENOXY)ACETIC ACID4-Hydroxyphenoxyacetic acid, 98+%2-(4-Hydroxyphenoxy)ethanoic acid, 4-(Carboxymethoxy)phenol
P-HYDROXYPHENOXYACETIC ACIDCHEMBL297343Acetic acid, (p-hydroxyphenoxy)-2-(4-Hydroxyphenoxy)acetic Acid; (4-Hydroxyphenoxy)acetic Acid; O-(4-Hydroxyphenyl)glycolic Acid; p-Hydroxyphenoxyacetic AcidEINECS 217-525-8SCHEMBL274850(4-hydroxyphenoxy) acetic acidCHEBI:1881
데이터베이스 식별자
- CAS
1878-84-8- PubChem CID
- 15881
- DTXSID
DTXSID7062033
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 149
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
Vapor Pressure0.0000185 [mmHg]
Physical DescriptionOff-white to beige crystalline powder; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 154 · 154-157 °C (lit.)
- 끓는 점
- 372.6 · 372.6±17.0 °C(Predicted)
- 밀도
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- 저장 조건
- RT, stored under nitrogen
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 3.27 · 3.27±0.10(Predicted)
- 색상
- 미색부터 베이지까지
- BRN
- 1952779 · 1952779
- InChI
- 1S/C8H8O4/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4,9H,5H2,(H,10,11)
- InChIKey
- PKGWLCZTTHWKIZ-UHFFFAOYSA-N
- SMILES
- OC(=O)COc1ccc(O)cc1
- LogP
- 0.65 · 0.650
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards SummaryAn irritant; Harmful by ingestion; [Acros Organics MSDS] See 4-Chlorophenoxyacetic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29189990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationAcetic acid, 2-(4-hydroxyphenoxy)-: INACTIVE
응용 분야
용도2-(4-Hydroxyphenoxy)acetic Acid is used in the design, synthesis and evaluation of postulated transient intermediate and substrate analogues as inhibitors of 4-hyroxyphenylpyruvate dioxygenase. Acts as a reagent in the preparation, anti-HIV and kinesin Eg5 inhibitory activities, QSAR, and modeling studies of triazolothiadiazole and triazolothiadiazine derivatives. Synthesis of thiadiazolotriazin-4-ones and study of their mosquito-larvicidal and antibacterial properties.
일반 설명(4-Hydroxyphenoxy)acetic acid along with formaldehyde ammonium salt forms a polyaromatic anionic compound RG-13577. RG-13577 mimics the synthetic heparin and specifically binds to the vascular smooth muscle cells (SMCs) and inhibits their proliferative growth. In the molecules of (4-hydroxyphenoxy)acetic acid, the carboxyl groups are held together by R22(8) hydrogen bonds.
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