2,4-ジメトキシ安息香酸

2,4-Dimethoxybenzoic acid

HCID 7052CAS 91-52-1
部分構造検索類似構造を探す

基本情報

標準SMILES
COc1ccc(C(=O)O)c(OC)c1
InChIKey
GPVDHNVGGIAOQT-UHFFFAOYSA-N
分子式
C9H10O4
平均分子量
182.17 g/mol
単同位体質量
182.0579088

概要

2,4-Dimethoxybenzoic acid has been reported in Aconitum kongboense and Salvia candidissima with data available.

名称と識別子

優先名称
2,4-Dimethoxybenzoic acid
IUPAC
2,4-dimethoxybenzoic acid
現地名
2,4-ジメトキシ安息香酸
英語名
2,4-Dimethoxybenzoic acid
分子式
C9H10O4
分子量
182.17

名称と別名

2,4-DIMETHOXYBENZOIC ACID91-52-1Benzoic acid, 2,4-dimethoxy-5699CY3NQJNSC-6316DTXSID105902624-Dimethoxybenzoate2,4-dimethoxybenzoateRefChem:8248324-Dimethoxybenzoic acidDTXCID5048718202-074-1
名称をさらに表示
2,4-ジメトキシ安息香酸2,4-ジメトキシ安息香酸, 98%2,4-Dimethoxybenzoic4-DiMethoxybenzoic acid2,4-dimethoxy-benzoicaci2,4-DimethoxybeRARECHEM AL BO 0028DIMETHOXYBENZOIC-2,4 ACIDDIMETHOXYBENZOIC ACID,2,4-
GPVDHNVGGIAOQT-UHFFFAOYSA-NInChI=1/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,112.4-dimethoxybenzoic acidMFCD00002434NSC 63162,4 dimethoxybenzoic acid2, 4-dimethoxybenzoic acid2,4-di-methoxybenzoic acid

データベース識別子

CAS
91-52-1
PubChem CID
7052
DTXSID
DTXSID1059026
ChEMBL
CHEMBL463921
UNII
5699CY3NQJ
EC Number
202-074-1
Nikkaji
J181.464H

物性

構造計算による物性

XLogP
1.6
極性表面積
55.8 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
3
重原子数
13

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点
107 · 107-109 °C (lit.)
沸点
275.56 °C · 275.56°C (rough estimate)
比重(密度)
1.2481 · 1.2481 (rough estimate)
屈折率
1.45 · 1.4500 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
外見
粉

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationBenzoic acid, 2,4-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29189090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-37/39-36

化学と産業

用途と製造

General Manufacturing InformationBenzoic acid, 2,4-dimethoxy-: ACTIVE
応用分野 · 2 件

用途有機合成原料。

使用Yttrium and heavy lanthanide complexes is synthesised with 2, 4-dimethoxybenzoic acid and thermal and spectral features is studied. In the case of the electron-rich aromatic system 2,4-dimethoxybenzoic acid reduction of the intermediate HOBt ester is slow, and good.

調製方法 · 1 件

純化方法Crystallise the acid from water and dry it in a vacuum desiccator over H2SO4.. The S-benzylisothiuronium salt has m 158-159o (from CHCl3). [Beilstein 10 H 379, 10 I 177, 10 II 252, 10 III 1371, 10 IV 1422.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008.]

上流・下流製品情報

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]
Changzhou Carman Chemical Co., Ltd.15061933924
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

関連反応

78 件
反応記録を作成

関連ノート

読み込み中…