概述规格名称和识别符技术文档高级数据系统学分类三维结构关联靶点（人）关联靶点（其它种属）作用机制质检证书（CoA,COO,BSE/TSE 和分析图谱) 化学和物理性质安全和危险性（GHS）此产品的引用文献技术文档和文章引用文献溶液计算器

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为什么选择此级别

提供 ≥98% 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。

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储存与运输

避光,室温,充氩,干燥。常规运输。请查阅批次 COA 获取详细规格。

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质量文档

SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。

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文献证明

在色谱分析、有机合成和交叉偶联反应领域已被 92 篇同行评审文献引用。

概述

有机合成。

3,4-Dihydroxybenzaldehyde can be used as a reactant for the synthesis of:

• Copolymers containing poly(p-phenylenevinylene) chromophore to be used in light-emitting electrochemical cell.

• 2-Arylbenzothiazoles with potential application as anti-cancer agents against human colon cancer cells.

• Variety of thiazolidin-4-one ring systems having antimicrobial activity.

• Bis-Schiff bases of isatins which can be used as antiglycating agents.

3,4-Dihydroxybenzaldehyde can be used as a reactant for the synthesis of:

• Copolymers containing poly(p-phenylenevinylene) chromophore to be used in light-emitting electrochemical cell.

• 2-Arylbenzothiazoles with potential application as anti-cancer agents against human colon cancer cells.

• Variety of thiazolidin-4-one ring systems having antimicrobial activity.

• Bis-Schiff bases of isatins which can be used as antiglycating agents.

规格

别名

原儿茶醛 | 儿茶醛 | 儿茶酚甲醛

英文别名

3,4-DHBAOP | 4,5-Dihydroxybenzaldehyde | NCGC00180319-01 | MEGxm0_000158 | PS-5533 | ACon1_001620 | UNII-4PVP2HCH4T | BCP00880 | EN300-17568 | STL146017 | Z56957508 | catechaldehyde | MFCD00003370 | s3952 | D-3480 | Q411602 | PROTOCATECHUALDEHYDE [MI] | 3

规格或纯度

≥98%

英文名称

3,4-Dihydroxybenzaldehyde

储存条件

避光,室温,充氩,干燥

运输条件

常规运输

纯度

≥98%

名称和识别符

PubChem SID

488180878

EC号

205-377-7

分子类型

小分子

IUPAC Name

3,4-dihydroxybenzaldehyde

INCHI

1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H

InChi Key

IBGBGRVKPALMCQ-UHFFFAOYSA-N

Smiles

C1=CC(=C(C=C1C=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C=O)O)O

分子量

138.12

Beilstein号

774381

Reaxy-Rn

774381

Reaxys-RN link address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774381&ln=

技术文档

📋 安全数据表 (SDS)

全面的危险、操作、储存及法规合规文件。

下载 SDS →

✅ 分析证书 (COA)

批次质量数据。输入批号以获取对应 COA。

查询 COA →

📊 产品数据表

产品规格和应用的快速参考摘要。

查看数据表 →

🔬 规格说明书

该级别的完整质量属性和验收标准。

查看规格说明 →

高级数据

系统学分类

分类树（Taxonomy Tree）

界（kingdom) 有机化合物
- 超类（Superclass) 有机氧化合物
  - 类（Class) 有机氧化合物
    - 亚类（Subclass）羰基化合物
      - 第5级 (level 5) 醛类
        第6级 (level 6) 芳基醛
        第7级 (level 7) 苯甲醛
        第8级 (level 8) 羟基苯甲醛

界（kingdom)	有机化合物
超类（Superclass)	有机氧化合物
类（Class)	有机氧化合物
亚类（Subclass）	羰基化合物
中间层级节点（Intermediate Tree Nodes）	醛类 - 芳基醛 - 苯甲醛
直接上位类(Direct Parent)	羟基苯甲醛
其他上位类（Alternative Parents）	儿茶酚苯甲酰衍生物 1-羟基-4-未取代苯类化合物 1-羟基-2-未取代苯类化合物有机氧化物碳氢化合物衍生物
分子骨架（Molecular Framework)	芳香族同单环化合物
取代基（Substituents）	1-羟基-2-未取代苯环化合物 - 1-羟基-4-未取代苯环化合物 - 芳香族同单环化合物 - 苯基化合物 - 苯甲酰 - 儿茶酚 - 烃衍生物 - 羟基苯甲醛 - 单环苯基基团 - 有机氧化物 - 苯酚
描述（Description）	该化合物属于羟基苯甲醛类有机化合物。这类芳香族有机化合物含有一个同时携带醛基和羟基的苯环。
外部描述符（External Descriptors）	an aryl aldehyde

三维结构

交互式化学结构模型

球棍
棍棒
线框模型
空间填充
显示氢气
动画

关联靶点（人）

TYR Tclin Tyrosinase (717 活性数据)

点击查看靶蛋白信息： TYR

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 活性数据)

点击查看靶蛋白信息： PTGS2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MPO Tchem Myeloperoxidase (1002 活性数据)

点击查看靶蛋白信息： MPO

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

DLD-1 (17511 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

K562 (73714 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

N9 (414 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

A549 (127892 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

T47D (39041 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HCT-116 (91556 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

WiDr (1835 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KB (17409 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

HeLa (62764 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 活性数据)

点击查看靶蛋白信息： SIRT1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SW1573 (1008 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 活性数据)

点击查看靶蛋白信息： POLI

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KDM4A Tchem Lysine-specific demethylase 4A (52245 活性数据)

点击查看靶蛋白信息： KDM4A

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 活性数据)

点击查看靶蛋白信息： EHMT2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 活性数据)

点击查看靶蛋白信息： KDM4E

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RAB9A Tbio Ras-related protein Rab-9A (22488 活性数据)

点击查看靶蛋白信息： RAB9A

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

microRNA 21 (64692 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 活性数据)

点击查看靶蛋白信息： BAZ2B

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 活性数据)

点击查看靶蛋白信息： GLS

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Ptpn1 Protein-tyrosine phosphatase 1B (270 活性数据)

点击查看靶蛋白信息： Ptpn1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Meloidogyne incognita (862 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Hepatitis B virus (7925 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

BV-2 (3710 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 活性数据)

点击查看靶蛋白信息： rep

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

fba Putative fructose-1,6-bisphosphate aldolase (15559 活性数据)

点击查看靶蛋白信息： fba

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

ffp 4'-phosphopantetheinyl transferase ffp (24982 活性数据)

点击查看靶蛋白信息： ffp

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Collagen (21 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MC3T3-E1 (421 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

化学和物理性质

溶解性

Soluble in water(6.3g/L).Solubility in Methanol almost transparency.Soluble in ethanol

密度

1.409

敏感性

对热和空气敏感

熔点

153-154°C

分子量

138.120 g/mol

XLogP3

1.300

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

138.032 Da

单同位素质量Monoisotopic Mass

138.032 Da

拓扑极表面积Topological Polar Surface Area

57.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

124.000

同位素原子数Isotope Atom Count

定义的原子立体中心计数Defined Atom Stereocenter Count

未定义的原子立体中心计数Undefined Atom Stereocenter Count

定义的键立体中心计数Defined Bond Stereocenter Count

未定义的键立体中心计数Undefined Bond Stereocenter Count

所有立体化学键的总数The total count of all stereochemical bonds

共价键合单元计数Covalently-Bonded Unit Count

安全和危险性（GHS）

象形图

GHS07

信号词

警告

危险声明

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P302+P352: 如皮肤沾染：用水充分清洗。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P319: 如果你感到不适，请寻求医疗帮助。

WGK Germany

RTECS

UL0380000

Merck Index

7893

个人防护装备

dust mask type N95 (US),Eyeshields,Gloves

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！

找到38个结果

批号(Lot Number)	证书类型	货号
G2230254	分析证书	D108634
G2230250	分析证书	D108634
B2626362	分析证书	D108634
B2626361	分析证书	D108634
B2626357	分析证书	D108634
D2425018	分析证书	D108634
A2612149	分析证书	D108634
L2516058	分析证书	D108634
L2515013	分析证书	D108634
B2221293	分析证书	D108634
B2221280	分析证书	D108634
B2221292	分析证书	D108634
B2221282	分析证书	D108634
F2514021	分析证书	D108634
F23151035	分析证书	D108634
F23151043	分析证书	D108634
F23151044	分析证书	D108634
F23151045	分析证书	D108634
F23151051	分析证书	D108634
F23151055	分析证书	D108634
F23151098	分析证书	D108634
F2316052	分析证书	D108634
B2508046	分析证书	D108634
J2422039	分析证书	D108634
G2230251	分析证书	D108634
G2230255	分析证书	D108634
G2230253	分析证书	D108634
G2430230	分析证书	D108634
G2418263	分析证书	D108634
G2420002	分析证书	D108634
G2420003	分析证书	D108634
B2221276	分析证书	D108634
K21111004	分析证书	D108634
K21111005	分析证书	D108634
K21111007	分析证书	D108634
F23151081	分析证书	D108634
F23151046	分析证书	D108634
A2106042	分析证书	D108634

显示更多⌵

技术文档和文章

从位置效应到实验选型：羟基苯甲醛类化合物的结构、应用与代表产品

目录：技术文章

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化合物芳香醛化合物

From Position Effects to Experimental Selection: Structure, Applications, and Representative Products of Hydroxybenzaldehyde Compounds

目录：技术文章

探索主题:

Compound aromatic aldehyde compounds

天然漆耐久性的化学基础：漆酚结构、氧化聚合成膜与涂膜性能

目录：技术文章

探索主题:

涂层材料天然漆

The Chemical Basis of Natural Lacquer Durability: Urushiol Structure, Oxidative Polymerization Film Formation, and Coating Film Properties

目录：技术文章

探索主题:

Coating Material Natural Paint

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