6-Hydroxy-2-naphthoic acid (HCID 85557)

名称と識別子

優先名称: 6-Hydroxy-2-naphthoic acid
IUPAC: 6-hydroxynaphthalene-2-carboxylic acid
現地名: 6-ヒドロキシ-2-ナフトエ酸
英語名: 6-Hydroxy-2-naphthoic acid
分子式: C11H8O3
分子量: 188.18

名称と別名

6-Hydroxy-2-naphthoic acid16712-64-42-Naphthalenecarboxylic acid, 6-hydroxy-6-Hydroxy-2-naphthalenecarboxylic acid6-Carboxy-2-naphthol2-Naphthoic acid, 6-hydroxy-2-Hydroxynaphthalene-6-carboxylic acid6-Hydroxy-beta-naphthoic acidNSC 148862DTXSID3029312EINECS 240-759-7NSC 689433

名称をさらに表示

6-ヒドロキシ-2-ナフトエ酸2-ナフトール-6-カルボン酸6-ヒドロキシ-2-ナフタレンカルボン酸2-ヒドロキシ-6-ナフトエ酸2-ヒドロキシナフタレン-6-カルボン酸2-ヒドロキシ-6-ナフタレンカルボン酸6-ヒドロキシナフタレン-2-カルボン酸6‐ヒドロキシ‐2‐ナフトエ酸6-HYDROXY-2-NAPTHOIC ACIDJACS-16712-64-4RARECHEM AL BO 0976TIMTEC-BB SBB0085946-hydroxy-2-naphthoicaci6-Hydroxy-2-phthoic acid6-HYDROXY-2-NAPHTOICACIDNaphthoic Acid Impurity 10

72XA858I6PNSC-148862NSC-6894332-Napthalenecarboxylic acid, 6-hydroxy-DTXCID609312EC 240-759-7HYDROXY-2-NAPHTHOIC ACID, 6-RefChem:543375

データベース識別子

CAS: 16712-64-4
PubChem CID: 85557
DTXSID: DTXSID3029312
ChEMBL: CHEMBL278950
ChEBI: CHEBI:193581
UNII: 72XA858I6P
EC Number: 240-759-7
Nikkaji: J167.279G

物性

構造計算による物性

XLogP: 2.9
極性表面積: 57.5 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 227

実験および物理化学的性質

Physical DescriptionDry Powder; CBI

物理化学的性質

融点: 240 · 240-250 °C (lit.)
沸点: 283.17 °C · 283.17°C (rough estimate)
比重(密度): 1.21 · 1.2100 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.64 · 1.6400 (estimate)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Insoluble in water
外見: 粉
酸解離定数(Pka): 4.34 · 4.34±0.30(Predicted)
色: ペールブラウン
水溶解度: 99 mg/L · 99mg/L at 20℃
BRN: 2692084 · 2692084
InChI: 1S/C11H8O3/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6,12H,(H,13,14)
InChIKey: KAUQJMHLAFIZDU-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc2cc(O)ccc2c1
LogP: 2.1 · 2.1
CAS データベース: 16712 · 16712-64-4(CAS DataBase Reference)
EPAの化学物質情報: 6 · 6-Hydroxy-2-naphthoic acid (16712-64-4)

化学的性質

化学的特性pale brown powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 6.1% (8 of 131) of reports.

Danger

H302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (87%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (85.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (87%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P304+P340, P305+P354+P338, P317, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 131 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 8 of 131 reports by companies.；There are 7 notifications provided by 123 of 131 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731

Hazard Classes and CategoriesAcute Tox. 4 (87.8%)；Eye Dam. 1 (87%)；STOT SE 3 (85.5%)；Aquatic Chronic 3 (87%)

法規制情報

Regulatory Information · 2 件

2-Naphthalenecarboxylic acid, 6-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenecarboxylic acid, 6-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 15-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10731

安全データ

wgk: 3
tsca: TSCA listed
rtecs: QN3722500
毒性: rat,LD50,oral,3080mg/kg (3080mg/kg),PERIPHERAL NERVE AND SENSATION: SENSORY CHANGE INVOLVING PERIPHERAL NERVEGASTROINTESTINAL: OTHER CHANGESLUNGS, THORAX, OR RESPIRATION: OTHER CHANGES,National Technical Information Service. Vol. OTS0534748,
hs_code: 29181990
risk_code: 36/37/38
化審法: (4)-398
hazard_code: Xi
safety_code: 37/39-26-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 1,000,000 - <2,500,000 lb；2022: 2,500,000 - <4,000,000 lb；2021: 1,000,000 - <2,500,000 lb；2020: 1,000,000 - <2,500,000 lb

Consumer UsesMonomers

Industry UsesMonomers

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

2-Naphthalenecarboxylic acid, 6-hydroxy-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用6-hydroxy-2-naphthoic acid is used for preparation engineering plastics, organic pigments, liquid crystal materials, medicine, particularly as a monomer of heat-resistant material.

一般的な説明6-Hydroxy-2-naphthoic acid is a hydroxynaphthoic acid derivative. Whole cells of the recombinant Escherichia coli strain expressing CYP199A2 were reported to catalyze the regioselective oxidation of 6-hydroxy-2-naphthoic acid to afford 6,7-dihydroxynaphthoic acid. It can form co-crystals with caffeine.