2-Naphthoic acid (HCID 7123)

名称と識別子

優先名称: 2-Naphthoic acid
IUPAC: naphthalene-2-carboxylic acid
現地名: 2-ナフトエ酸
英語名: 2-Naphthoic acid
分子式: C11H8O2
分子量: 172.18

名称と別名

2-Naphthoic acid93-09-42-Naphthalenecarboxylic acidNAPHTHALENE-2-CARBOXYLIC ACIDIsonaphthoic acidbeta-Naphthoic acidQLG01V0W2LNSC-59901DTXSID1059078CHEBI:36106RefChem:477100DTXCID2048828

名称をさらに表示

2-ナフトエ酸β-ナフトエ酸2-ナフタレンカルボン酸ナフタレン-2-カルボン酸イソナフトエ酸２ナフトエ酸2-ナフトエ酸(β-〃)2‐ナフトエ酸β-ナフタレンカルボン酸2-naphthoicnaphthalene-2-carboxylate0/4/932-maythicacid2-phthoic acid2-NAPHTOIC ACIDB-NAPHTHOIC ACID3-Naphthoic acid

202-217-82-Carboxynaphthalene2-Maythic acidMFCD00004101.beta.-Naphthoic acidNaphthalene-beta-carboxylic acidEINECS 202-217-8NSC 59901

データベース識別子

CAS: 93-09-4
PubChem CID: 7123
DTXSID: DTXSID1059078
ChEMBL: CHEMBL114648
ChEBI: CHEBI:36106
UNII: QLG01V0W2L
EC Number: 202-217-8
Nikkaji: J10.599F

物性

構造計算による物性

XLogP: 3.3
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 200

実験および物理化学的性質

Flash Point205 °C

Physical DescriptionCrystals from 95% alcohol; [Merck Index] Colorless solid, almost insoluble in water; [MSDSonline]

Dissociation Constants4.18

Kovats Retention Index289.55

物理化学的性質

融点: 185 · 185-187 °C(lit.)
沸点: 300 °C · 300 °C
比重(密度): 1.08 · 1.08
屈折率: 1.552 · 1.5520 (estimate)
闪点: 205 °C · 205 °C
貯蔵温度: Sealed in dry,Room Temperature
溶解性: アルコール：可溶
外見: 粉
酸解離定数(Pka): 4.17 · 4.17(at 25℃)
色: 白からベージュ
PH: 4.5 · 4.5 (H2O, 20℃)
水溶解度: 0.5 g/L · <0.5g/L (20℃)
Merck: 14 · 14,6382
BRN: 972039 · 972039
InChI: 1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc2ccccc2c1
CAS データベース: 93 · 93-09-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Naphthalenecarboxylic acid(93-09-4)
EPAの化学物質情報: 2 · 2-Naphthalenecarboxylic acid (93-09-4)

化学的性質

化学的特性Colorless solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryModerate skin and mucous membrane irritant; [Merck Index] See 3-Hydroxy-2-naphthalenecarboxylic acid.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (98%)

法規制情報

Regulatory Information · 2 件

Chemical: 2-Naphthalenecarboxylic acid

2-Naphthalenecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 2
tsca: TSCA listed
rtecs: QL1050000
hs_code: 29163900
risk_code: 36/37/38
化審法: (4)-397
hazard_code: Xi
safety_code: 26-36-24/25-36/373/39
ストレージクラス: 13 - Non Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2-Naphthalenecarboxylic acid: ACTIVE

応用分野 · 2 件

使用2-Naphthoic acid is an unprotected acid undergoes lithiation, e.g. with s-BuLi, by stereospecific 1,4-addition, providing a facile route to 1,2,2-trisubstituted 1,2-dihydronaphthalenes. It is also used as an intermediate in organic synthesis. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.

一般的な説明2-Naphthoic acid (NPA) is a noncompetitive N-methyl-D-aspartate (NMDA) receptor inhibitor. The fluorescence spectra and electronic absorption of 2-naphthoic acid was studied.

調製方法 · 1 件

純化方法Crystallise the acid from EtOH (4mL/g), aqueous 50% EtOH or Me2CO (m 185-186o). Dry it at 100o. The acid chloride has m 52-52o (from *C6H6/pet ether) and b 160-162o/11mm [Hersberg & Carson Org Synth Coll Vol III 629 1955], the amide has m 192o (from EtOH), and the N-Methyl amide has m 109-109.5o (form *C6H6). [Beilstein 9 H 656, 9 III 3174, 9 IV 2402.]