2,6-ナフタレンジカルボン酸
2,6-Naphthalenedicarboxylic acid
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基本情報
- CAS
1141-38-4- 標準SMILES
O=C(O)c1ccc2cc(C(=O)O)ccc2c1- InChIKey
RXOHFPCZGPKIRD-UHFFFAOYSA-N- 分子式
- C12H8O4
- 平均分子量
- 216.19 g/mol
- 単同位体質量
- 216.04225873
概要
Naphthalene-2,6-dicarboxylic acid is a dicarboxylic acid. It derives from a hydride of a naphthalene.
名称と識別子
- 優先名称
- 2,6-Naphthalenedicarboxylic acid
- IUPAC
- naphthalene-2,6-dicarboxylic acid
- 現地名
- 2,6-ナフタレンジカルボン酸
- 英語名
- 2,6-NAPHTHALENEDICARBOXYLIC ACID
- 分子式
- C12H8O4
- 分子量
- 216.19
名称と別名
2,6-Naphthalenedicarboxylic acid1141-38-4naphthalene-2,6-dicarboxylic acid2,6-NAPHTHALIC ACID2,6-DICARBOXYNAPHTHALENEDTXSID5029211K3C4DYZ29ODTXCID009211CHEBI:44460RefChem:445809214-527-0MFCD00004105
名称をさらに表示
2,6-ナフタレンジカルボン酸2,6-ナフタル酸ナフタレン-2,6-ジカルボン酸2，6ナフタレンジカルボン酸DK7461NSC 96410JACS-1141-38-4TIMTEC-BB SBB008377Adiphenine Impurity 112,6-Naphthalenedioic acid2,6-phthalenedicarboxylic Acid
2,6-napthalenedicarboxylic acidNCIOpen2_0071242,6-Naphthalendicarboxylic acid2,6-naphthalene-dicarboxylic acidNSC-964102,6-Naphthalic Acid||||NSC 96410NAPHTHALENEDICARBOXYLIC ACID, 2,6-2,6-naphthalene dicarboxylic acid
データベース識別子
- CAS
1141-38-4- PubChem CID
- 14357
- DTXSID
DTXSID5029211- ChEMBL
CHEMBL1205452- ChEBI
CHEBI:44460- UNII
- K3C4DYZ29O
- EC Number
- 214-527-0
- Nikkaji
- J40.510H
物性
構造計算による物性補完中
- XLogP
- 2.8
- 極性表面積
- 74.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 16
- 形式電荷
- 0
- 複雑度
- 269
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionDry Powder
物理化学的性質
- 融点
- 300 °C · >300 °C (lit.)
- 沸点
- 316.6 °C · 316.6°C (rough estimate)
- 比重(密度)
- 1.5 · 1.5
- 屈折率
- 1.708 · 1.7080 (estimate)
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- very faint turbidity in hot Pyridine
- 酸解離定数(Pka)
- 3.69 · 3.69±0.30(Predicted)
- 外見
- 粉
- 色
- 白い
- 水溶解度
- 3 μg/L · 3μg/L at 20℃
- BRN
- 2051257 · 2051257
- InChI
- InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
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 83.3% (15 of 18) of all reports.
Warning
H315 (16.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2,6-Naphthalenedicarboxylic acid
2,6-Naphthalenedicarboxylic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,6-Naphthalenedicarboxylic acid 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Naphthalene-2,6-dicarboxylic acid (EC: 214-527-0)
2,6-Naphthalenedicarboxylic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29173990
- risk_code
- 36/37/38
- 化審法
- (4)-402
- hazard_code
- Xi
- safety_code
- 24/25
化学と産業
用途と製造
U.S. Production2023: <75,000 lb
Consumer UsesMonomers
Industry UsesMonomers
General Manufacturing Information
Plastics Material and Resin Manufacturing
2,6-Naphthalenedicarboxylic acid: ACTIVE
応用分野
使用2,6-naphthalenedicarboxylic acid is an important product for the manufacture of high strength and excellent dyeing properties of polyester fibers and F class insulation material, is an important monomer performance PEN, PBN, liquid crystal polymer (LCP) and polyurethane resin pharmaceutical and fine chemicals raw material.
一般的な説明This product has been enhanced for energy efficiency.
上流・下流製品情報
上流原料
関連反応
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