9-アントラセンカルボン酸

9-Anthracenecarboxylic acid

HCID 2201CAS 723-62-6

基本情報

標準SMILES
O=C(O)c1c2ccccc2cc2ccccc12
InChIKey
XGWFJBFNAQHLEF-UHFFFAOYSA-N
分子式
C15H10O2
平均分子量
222.24 g/mol
単同位体質量
222.06807956

名称と識別子

優先名称
9-Anthracenecarboxylic acid
IUPAC
anthracene-9-carboxylic acid
現地名
9-アントラセンカルボン酸
英語名
9-Anthracenecarboxylic acid
分子式
C15H10O2
分子量
222.24

名称と別名

9-Anthracenecarboxylic acid723-62-69-Anthroic acidANCA9-CarboxyanthraceneAnthracene-10-carboxylic acidDTXSID70494277VK69492FVNSC-151909DTXCID6029387CHEBI:345079-anthracene carboxylic acid
名称をさらに表示
9-アントラセンカルボン酸アントラセン-9-カルボン酸9-アントロン酸アントラセン9カルボン酸9-カルボキシアントラセン9‐アントラセンカルボン酸アントラセン‐9‐カルボン酸9-アントラセンカルボン酸 (昇華精製品)アントラセン-9-カルボキシル酸9-アンスロン酸アントラセン-9-カルボン酸ナトリウムナトリウム アントラセン-9-カルボキシラートAnthraAKOS MSC-01349-anthroicaci9-Anthroate acidMS-ANTHROIC ACID
9-AC cpd9-ACARefChem:107758211-964-9anthracene-9-carboxylic acid9-ACMFCD00001257Spectrum4_000875

データベース識別子

CAS
723-62-6
PubChem CID
2201
DTXSID
DTXSID7049427
ChEMBL
CHEMBL1513985
ChEBI
CHEBI:34507
UNII
7VK69492FV
EC Number
211-964-9
Nikkaji
J79.927K

物性

構造計算による物性

XLogP
3.8
極性表面積
37.3 Ų
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
17

実験および物理化学的性質

Vapor Pressure0.00000022 [mmHg]
Physical DescriptionYellow powder; [Alfa Aesar MSDS]

物理化学的性質

融点
213 · 213-217 °C (lit.)
沸点
323.41 °C · 323.41°C (rough estimate)
比重(密度)
1.1404 · 1.1404 (rough estimate)
屈折率
1.66 · 1.6600 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
2 O: · H2O: 可溶

化学的性質

化学的特性yellow powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.

Danger

H301 (10%): Toxic if swallowed [Danger Acute toxicity, oral];H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 10 reports by companies.;There are 4 notifications provided by 7 of 10 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 · 3 件

Chemical: 9-Anthracenecarboxylic acid

Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29953

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

Hazards SummaryCauses muscle contraction or spasticity in intraperitoneal lethal-dose studies of mice (LD50 = 750 mg/kg); [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 3 (10%);Skin Irrit. 2 (60%);Eye Irrit. 2 (60%);STOT SE 3 (50%)

法規制情報

Regulatory Information · 3 件

Chemical: 9-Anthracenecarboxylic acid

Status: Active Update: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29953

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

安全データ

wgk
3
tsca
TSCA listed
rtecs
CB8764000
毒性
pic-esc 127 mg/well MUREAV 260,349,91
hs_code
29163900
risk_code
36/37/38-20/21/22

化学と産業

薬理情報

Metabolism/Metabolites9-Anthracenecarboxylic acid is a known human metabolite of 9-anthraldehyde.

用途と製造

UsesChloride channel blocker. [ChemIDplus]
General Manufacturing Information9-Anthracenecarboxylic acid: ACTIVE

応用分野

用途有機合成原料。

使用Anthracene-9-carboxylic acid is a Cl- transport inhibitor with a moderate to strong inhibitory action on PKA activated cardiac IcI.

調製方法

純化方法Crystallise the acid from EtOH. It is fluorescent in EtOH. [Beilstein 9 IV 2671.]

サプライヤー50 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]
哈尔滨捷凯新材料有限公司15104587591; 18245017205 · [email protected]
中节能万润股份有限公司0535-6101880 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: An anthroic acid carrying the carboxy substituent at position 9.

関連反応

18 件

関連ノート

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