Pamoic Acid (HCID 8546)

개요

Pamoic acid is a dicarboxylic acid. It is functionally related to a 2-naphthoic acid. It is a conjugate acid of a pamoate(2-).

이름 및 식별자

우선 이름: Pamoic Acid
IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
영어명: Pamoic acid
분자식: C23H16O6
분자량: 388.37

이름 및 동의어

PAMOIC ACID130-85-8Embonic acid4,4'-Methylenebis(3-hydroxy-2-naphthoic acid)Pamosaeure2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acidDTXSID90489847RRQ8QZ38NNSC-301882-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-4,4'-methylenebis(3-hydroxynaphthalene-2-carboxylic acid)

이름 더 보기

PamoicPaMoic aciPamic acidPalMer acidPamuric acidPamoicAcid98%EMBIONIC ACIDPamoicAcid>

DTXCID9028910CHEBI:501864-((3-carboxy-2-hydroxynaphthalen-1-yl)methyl)-3-hydroxynaphthalene-2-carboxylic acidRefChem:858447204-998-0C23H16O6NSC30188MFCD00004079

데이터베이스 식별자

CAS: 130-85-8
PubChem CID: 8546
DTXSID: DTXSID9048984
ChEMBL: CHEMBL177880
ChEBI: CHEBI:50186
UNII: 7RRQ8QZ38N
EC Number: 204-998-0
Nikkaji: J10.641K

물성

구조 계산 물성

XLogP: 5.8
극성 표면적: 115 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 29
형식 전하: 0
복잡도: 568

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점: 300 °C · ≥300 °C (dec.)
끓는 점: 434.1 °C · 434.1°C (rough estimate)
밀도: 1.2472 · 1.2472 (rough estimate)
굴절률: 1.4593 · 1.4593 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 니트로벤젠, 피리딘에 용해됨
물리적 상태: 결정성 분말
산도 계수 (pKa): 2.67 · 2.67±0.30(Predicted)
색상: 노란색에서 노란색-녹색
수용성: 실질적으로 불용성
Merck: 14 · 14,7005
BRN: 901319 · 901319
InChI: 1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
InChIKey: WLJNZVDCPSBLRP-UHFFFAOYSA-N
SMILES: OC(=O)c1cc2ccccc2c(Cc3c(O)c(cc4ccccc34)C(O)=O)c1O
EPA: 2 · 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy- (130-85-8)

화학적 성질

Pamoic acid is yellow to yellow-green crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (15.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 72 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23671

2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: Environment tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (15.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: QL2180000
독성: eye-rbt 100 mg MOD FCTOD7 20,573,82
HS 번호: 29182990
risk_code: 36/37/38-48-41-37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-45-36/37/39-22
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-: ACTIVE

응용 분야

용도Pamoic acid is used in preparation of repository derivatives of medicinal agents, used in pharmacology to increase the solubility of a drug in water.

일반 설명Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.