9-Anthracenecarboxaldehyde (HCID 69504)

名称と識別子

優先名称: 9-Anthracenecarboxaldehyde
IUPAC: anthracene-9-carbaldehyde
現地名: 9-アントラセンカルボキシアルデヒド
英語名: 9-Anthraldehyde
分子式: C15H10O
分子量: 206.24

名称と別名

9-Anthraldehyde642-31-99-Anthracenecarboxaldehyde9-Formylanthracene9-Anthrylaldehyde9-anthracene aldehydeNSC-15DTXSID9060940353S277YHYRefChem:549188DTXCID3044253211-383-0

名称をさらに表示

9-アントラセンカルボキシアルデヒド9-アントラアルデヒドアントラセン-9-カルバルデヒド9-ホルミルアントラセンアントラセン-9-カルボアルデヒド9-アントラセンカルボアルデヒド9-アントラセンカルバルデヒド9‐アントラセンカルバルデヒド9-アントラアルデヒド, 98%anthraldehydeAKOS B0298499-AnthaldehydeAKOS BBS-00003154

Anthracene-9-carbaldehyde9-Anthracenecarbaldehyde9-AnthrylcarboxaldehydeAnthracene-9-carboxaldehyde9-anthracenaldehydeMFCD00001254Anthracene-9-aldehyde9-Anthracenealdehyde

データベース識別子

CAS: 642-31-9
PubChem CID: 69504
DTXSID: DTXSID9060940
ChEMBL: CHEMBL4447118
UNII: 353S277YHY
EC Number: 211-383-0
Nikkaji: J45.218A

物性

構造計算による物性

XLogP: 4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 16
形式電荷: 0
複雑度: 238

実験および物理化学的性質

Physical DescriptionGold colored powder; [Alfa Aesar MSDS]

Kovats Retention Index · 2 件

2094；368.3

357.3；356.6

物理化学的性質

融点: 103 · 103-105 °C (lit.)
沸点: 305.09 °C · 305.09°C (rough estimate)
比重(密度): 1.0701 · 1.0701 (rough estimate)
屈折率: 1.6324 · 1.6324 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: トルエンに可溶。
外見: 結晶性粉末または針
色: 黄色
BRN: 639167 · 639167
安定性: 安定。強塩基、強酸化剤とは相容れない。
InChI: 1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChIKey: YMNKUHIVVMFOFO-UHFFFAOYSA-N
SMILES: [H]C(=O)c1c2ccccc2cc3ccccc13
CAS データベース: 642 · 642-31-9(CAS DataBase Reference)
NISTの化学物質情報: 9 · 9-Anthracenecarboxaldehyde(642-31-9)
EPAの化学物質情報: 9 · 9-Anthracenecarboxaldehyde (642-31-9)

化学的性質

化学的特性yellow powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (28.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (71.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (28.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (57.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 7 reports by companies from 3 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 · 3 件

Chemical: 9-Anthracenecarboxaldehyde

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18857

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

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)；Acute Tox. 4 (28.6%)；Skin Irrit. 2 (71.4%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (28.6%)

法規制情報

Regulatory Information · 3 件

Chemical: 9-Anthracenecarboxaldehyde

Status: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18857

9-Anthracenecarboxaldehyde: 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
hs_code: 29122900
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 24/25-36
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Metabolism/Metabolites9-anthraldehyde has known human metabolites that include 9-Anthracenecarboxylic acid.

用途と製造

UsesSubstrate for microsomal aldehyde oxygenase activity. [ChemIDplus]

General Manufacturing Information9-Anthracenecarboxaldehyde: INACTIVE

応用分野 · 3 件

用途有機合成原料。

使用9-Anthraldehyde is used to prepare asymmetrical tridentate Schiff base ligands, 2-(9-anthrylmethyl-ideneamino)-4-methyl-phenol and functionalized ligand like 2-(anthracen-9-ylidene)-4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione through Knoevenangel condensation with the diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopentene-1,3-dione. It is also used as an intermediate for dyes, pigment, active pharmaceutical ingredients and other organic compounds. Further, it is involved in the Diels Alder reaction with benzenediazonium-2-carboxylate.

一般的な説明The Diels-Alder reaction of 9-anthracenecarboxaldehyde with benzenediazonium-2-carboxylate was studied.

調製方法

純化方法9-Anthraldehyde [642-31-9] M 206.2, m 104-105o. Crystallise the aldehyde from acetic acid or EtOH. [Masnori et al. J Am Chem Soc 108 1126 1986, Beilstein 7 IV 1738.]