1,4-ジヒドロキシ-2-ナフトエ酸

1,4-Dihydroxy-2-naphthoic acid

HCID 671

基本情報

CAS: 31519-22-9
標準SMILES: O=C(O)c1cc(O)c2ccccc2c1O
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
分子式: C11H8O4
平均分子量: 204.18 g/mol
単同位体質量: 204.04225874

概要

1,4-dihydroxy-2-naphthoic acid is a naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4. It has a role as an Escherichia coli metabolite. It is a member of naphthalenediols, a naphthoic acid, a dihydroxy monocarboxylic acid and a naphthohydroquinone. It is functionally related to a 2-naphthoic acid. It is a conjugate acid of a 1,4-dihydroxy-2-naphthoate.

名称と識別子

優先名称: 1,4-Dihydroxy-2-naphthoic acid
IUPAC: 1,4-dihydroxynaphthalene-2-carboxylic acid
現地名: 1,4-ジヒドロキシ-2-ナフトエ酸
英語名: 1,4-Dihydroxy-2-naphthoic acid
分子式: C11H8O4
分子量: 204.18

名称と別名

1,4-Dihydroxy-2-naphthoic acid31519-22-91,4-Dihydroxynaphthalene-2-carboxylic acid1,4-Dihydroxy-2-naphthalenecarboxylic acidDTXSID00377301U77MR5Q7ODTXCID8017730CHEBI:18094RefChem:906982250-674-72-Naphthalenecarboxylic acid, 1,4-dihydroxy-MFCD00010370

名称をさらに表示

1,4-ジヒドロキシ-2-ナフトエ酸1,4-ジヒドロキシナフタレン-2-カルボン酸1,4-ジヒドロキシ-2-ナフタレンカルボン酸1,4-ジヒドロキシ-2-ナフトエ酸, 98%DHNA1,4-dihydroxy-2-naphthoate4-Dihydroxy-2-naphthoic acid1,4-Hydroxy-2-naphthoic acid1,4-Dohydroxy-2-naphthoic acid1,4 -DIHYDOXY-2-NAPHTHOIC ACIDAminolevulinic Acid Impurity 71,4-DIHYDROXY-2-NAPHTHALIC ACID

1,4-Dihydroxy-2-naphtoic acidUNII-1U77MR5Q7O1,4-Dihydroxy-2-naphthoicAcidEINECS 250-674-7CBMicro_022187bmse000688C03657Oprea1_682770

データベース識別子

物性

構造計算による物性

XLogP: 2.5
極性表面積: 77.8 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 253

物理化学的性質

融点: 220 °C · 220 °C (dec.) (lit.)
沸点: 461.7 · 461.7±40.0 °C(Predicted)
比重(密度): 1.535 · 1.535±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 2.89 · 2.89±0.30(Predicted)
色: White to Amber to Dark green
水溶解度: 水にわずかに溶ける。
InChI: InChI=1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
SMILES: C1(O)=C2C(C=CC=C2)=C(O)C=C1C(O)=O
CAS データベース: 31519 · 31519-22-9(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Naphthalenecarboxylic acid, 1,4-dihydroxy- (31519-22-9)

化学的性質

化学的特性Lighte yellow powder

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29182900
risk_code: 36/37/38
化審法: (4)-1468
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
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, 1,4-dihydroxy-: ACTIVE

応用分野

使用1,4-Dihydroxy-2-naphthoic acid from Propionibacterium freudenreichii is known to promote the proliferation of Bifidobacterium. It has potential therapeutic application for psoriasis treatment.

一般的な説明1,4-Dihydroxy-2-naphthoic acid from Propionibacterium freudenreichii is known to promote the proliferation of Bifidobacterium. It has potential therapeutic application for psoriasis treatment.

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

化合物ノート

読み込み中…

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基本情報

CAS: 31519-22-9
標準SMILES: O=C(O)c1cc(O)c2ccccc2c1O
InChIKey: VOJUXHHACRXLTD-UHFFFAOYSA-N
分子式: C11H8O4
平均分子量: 204.18 g/mol
単同位体質量: 204.04225874

概要