2,6-Diformyl-4-methylphenol (HCID 81744)

名称と識別子

優先名称: 2,6-Diformyl-4-methylphenol
IUPAC: 2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde
現地名: 2-ヒドロキシ-5-メチルイソフタルアルデヒド
英語名: 2-Hydroxy-5-methylisophthalaldehyde
分子式: C9H8O3
分子量: 164.16

名称と別名

2-Hydroxy-5-methylisophthalaldehyde7310-95-42,6-diformyl-4-methylphenolNSC-243727V6R37R6AU3RefChem:473282230-768-42-hydroxy-5-methylbenzene-1,3-dicarbaldehyde2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde1,3-Benzenedicarboxaldehyde, 2-hydroxy-5-methyl-MFCD00016596Diformylcresol

名称をさらに表示

2-ヒドロキシ-5-メチルイソフタルアルデヒド4-メチル-2,6-ジホルミルフェノール2-ヒドロキシ-5-メチルベンゼン-1,3-ジカルボアルデヒド2-ヒドロキシ-5-メチル-1,3-ベンゼンジカルボアルデヒド5-メチル-2-ヒドロキシ-1,3-ベンゼンジカルボアルデヒド5-メチル-2-ヒドロキシイソフタルアルデヒド2,6-ジホルミル-4-メチルフェノール2-ヒドロキシ-5-メチル-1,3-ベンゼンジカルボキシアルデヒド2-ヒドロキシ-5-メチルベンゼン-1,3-ジカルバルデヒドAKOS BC-17252,6-Diformyl-4-methylphenol,99%2-HYDROXY-5-METHYLISOPHTHALDEHYDE2-HYDROXY-5-METHYLISOPHTHALALDEHYD5-Methyl-2-hydroxyisophthalaldehyde2-Hydroxy-5-methylisophthalaldehyde>2-Hydroxy-5-methylbenzene-1,3-dicarbaldehyde5-Methyl-2-hydroxy-1,3-benzenedicarbaldehyde

NSC243727YSZC4373-Formyl-5-methylsalicylaldehydeNSC 2437275-methyl-2-hydroxy-1,3-benzenedicarboxaldehyde4-methyl-2,6-diformylphenolEINECS 230-768-42,6-diformyl-p-cresol

データベース識別子

CAS: 7310-95-4
PubChem CID: 81744
DTXSID: DTXSID60223374
ChEMBL: CHEMBL3904097
UNII: V6R37R6AU3
EC Number: 230-768-4
Nikkaji: J1.803.860I、J208.612C

物性

構造計算による物性

XLogP: 1.4
極性表面積: 54.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 161

物理化学的性質

融点: 128 · 128-130 °C (lit.)
沸点: 251.61 °C · 251.61°C (rough estimate)
比重(密度): 1.2132 · 1.2132 (rough estimate)
屈折率: 1.538 · 1.5380 (estimate)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 6.69 · 6.69±0.23(Predicted)
色: White to Yellow to Orange
InChI: InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3
InChIKey: ZBOUXALQDLLARY-UHFFFAOYSA-N
SMILES: C1(C=O)=CC(C)=CC(C=O)=C1O
CAS データベース: 7310 · 7310-95-4(CAS DataBase Reference)

化学的性質

化学的特性light yellow to beige cryst. powder or needles

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 (97.7%): 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 43 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

安全データ

wgk: 3
hs_code: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde (2-hydroxy-5-methylisophthalaldehyde) is suitable reagent used in the synthesis of 2-(2′-vinyloxyethoxy)-5-methylisophthaldehyde and chiral calixsalen macrocycles.2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde may be used in the synthesis of the following:3-[(2,4-Dichlorophenyl)iminomethyl]-2-hydroxy-5-methylbenzaldehyde, a Schiff base.2-Hydroxy-3-methoxymethyl-5-methylbenzaldehyde.Acyclic Schiff-base ligands.Macrobicyclic ligands (MSB).4-Methyl-2,6-divinylphenol.2-Hydroxy-3-dimethoxymethyl-5-methylbenzaldehyde.

一般的な説明2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde (2-hydroxy-5-methylisophthalaldehyde) is a dialdehyde derivative. It has been synthesized by heating p-cresol with hexamethylenetetramine. The structure has been confirmed by 1H and 13C NMR. It is an important raw material for the synthesis of various binucleating schiff base ligand.

上流・下流製品情報

上流原料

パラホルムアルデヒド p-クレゾール酢酸ヘキサメチレンテトラミン

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]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]

济南药德生物科技有限公司17805033575; 17805033575 · [email protected]

上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]

2-ヒドロキシ-5-メチルイソフタルアルデヒド

基本情報