6-ヒドロキシ-2-ナフトエ酸
6-Hydroxy-2-naphthoic acid
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
16712-64-4- 標準SMILES
O=C(O)c1ccc2cc(O)ccc2c1- InChIKey
KAUQJMHLAFIZDU-UHFFFAOYSA-N- 分子式
- C11H8O3
- 平均分子量
- 188.18 g/mol
- 単同位体質量
- 188.04734411
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補完中
- XLogP
- 2.9
- 極性表面積
- 57.5 Ų
- 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
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
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-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
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
Plastics Material and Resin Manufacturing
2-Naphthalenecarboxylic acid, 6-hydroxy-: ACTIVE
応用分野
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.
上流・下流製品情報
上流原料
関連反応
126 件
化合物ノート
読み込み中…