Pamoic Acid (HCID 8546)

概要

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

名称と識別子

優先名称: Pamoic Acid
IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid
現地名: パモ酸
英語名: Pamoic acid
分子式: C23H16O6
分子量: 388.37

名称と別名

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)

名称をさらに表示

パモ酸4,4′-メチレンビス(3-ヒドロキシ-2-ナフタレンカルボン酸)4,4'-メチレンビス(3-ヒドロキシ-2-ナフトエ酸)エンボニン酸エムボン酸4-[(3-カルボキシ-2-ヒドロキシナフタレン-1-イル)メチル]-3-ヒドロキシナフタレン-2-カルボン酸1,1′-メチレンビス(2-ヒドロキシ-3-ナフタレンカルボン酸)4,4′-メチレンビス[3-ヒドロキシ-2-ナフトエ酸]3,3′-ジヒドロキシ-4,4′-メチレンビス(2-ナフトエ酸)4,4′-メチレンビス(3-ヒドロキシ-2-ナフトエ酸)4,4′-メチレンビス[3-ヒドロキシ-2-ナフタレンカルボン酸]4,4′-(メチレン)ビス[3-ヒドロキシ-2-ナフタレンカルボン酸]パモン酸4,4′-メチレンビス(3-ヒドロキシナフタレン-2-カルボン酸)エンボン酸PamoicPaMoic aciPamic acidPalMer acidPamuric acidPamoicAcid98%EMBIONIC ACIDPamoicAcid>

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

データベース識別子

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

物性

構造計算による物性

XLogP: 5.8
極性表面積: 115 Å²
水素結合供与体数: 4
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 29
形式電荷: 0
複雑度: 568

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 300 °C · ≥300 °C (dec.)
沸点: 434.1 °C · 434.1°C (rough estimate)
比重(密度): 1.2472 · 1.2472 (rough estimate)
屈折率: 1.4593 · 1.4593 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: ニトロベンゼン、ピリジンに可溶
外見: 結晶性粉末
酸解離定数(Pka): 2.67 · 2.67±0.30(Predicted)
色: 黄色から黄緑色
水溶解度: 実質的に不溶
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
CAS データベース: 130 · 130-85-8(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy- (130-85-8)

化学的性質

化学的特性Pamoic acid is yellow to yellow-green crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: QL2180000
毒性: eye-rbt 100 mg MOD FCTOD7 20,573,82
hs_code: 29182990
risk_code: 36/37/38-48-41-37/38-20/21/22
化審法: (4)-462
hazard_code: Xi,Xn
safety_code: 26-36-45-36/37/39-22
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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

応用分野

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

一般的な説明Pharmaceutical 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.