3,4,5-三甲氧基苯甲醛 | 86-81-7

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中文名称：3,4,5-三甲氧基苯甲醛
英文名称：3,4,5-Trimethoxybenzaldehyde
CAS No.：86-81-7 分子式：C₁₀H₁₂O₄ 分子量：196.1999
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击：3,4,5-三甲氧基苯甲醛结构式
MSDS：3,4,5-三甲氧基苯甲醛msds 价格行情：3,4,5-三甲氧基苯甲醛价格 PubChem CID：87576078
国内供应商

3,4,5-三甲氧基苯甲醛的其他展现形式

相关化合物

香兰素 4-Hydroxy-3-methoxybenzaldehyde CAS No.：121-33-5

丁香醛 4-Hydroxy-3,5-dimethoxybenzaldehyde CAS No.：134-96-3

5-羟基香兰素 3,4-Dihydroxy-5-methoxybenzaldehyde CAS No.：3934-87-0

4-(2-甲氧基苯氧基)-苯甲醛 4-(2-Methoxy-phenoxy)-benzaldehyde CAS No.：78725-48-1

3,5-二甲氧基苯甲醛 3,5-Dimethoxybenzaldehyde CAS No.：7311-34-4

3,4-二甲氧基-5-羟基苯甲醛 3,4-Dimethoxy-5-hydroxybenzaldehyde CAS No.：29865-90-5

简介

3,4,5-Trimethoxybenzaldehyde 是合成各种药物的中间体，特别是用于研究细菌感染的甲氧苄啶的中间体 (intermediate)，包括尿路病原体感染。

名称和标识符

MDL	MFCD00003364
InChIKey	OPHQOIGEOHXOGX-UHFFFAOYSA-N
Inchi	1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
SMILES	O(C([H])([H])[H])C1C(=C([H])C(C([H])=O)=C([H])C=1OC([H])([H])[H])OC([H])([H])[H]
BRN	0395163

别名信息

- 中文别名 -

3,4,5-三甲氧基苯甲醛 3,4,5-Trimethoxybenzaldehyde 3,4,5-三甲氧基苯甲醛 3,4,5-三甲氧基苯甲醛 TMBA 三甲氧基苯甲醛

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- 英文别名 -

3,4,5-Trimethoxybenzaldehyde TMBA 3,4,5-Trimethoxybenzaldeh 3,4,5-Trimethoxybenz 3.4.5-Trimethoxyphenylaldehyde 3,4,5-(OMe)3-C6H2CHO 3,4,5-tri-(OMe)-PhCHO 3,4,5-tri-MeO-C6H2CHO 3,4,5-trimethoxy-benzaldehyde 3,4,5-tri-OMe-C6H3CHO BENZALDEHYDE,3,4,5-TRIMETHOXY EINECS 201-701-6 tri-o-methylgallaldehyde NSC 16692 Benzaldehyde, 3,4,5-trimethoxy- 3,4,5-trimethoxy benzaldehyde BENZALDEHYDE,3,4,5-TRIMETHOXY- WL86YD76N6 OPHQOIGEOHXOGX-UHFFFAOYSA-N NSC16692 PubChem8266 3,5-Trimethoxybenzaldehyde 3,4,5 trimethoxybenzaldehyde KSC490M1D 3,4,5 -trimethoxybenzaldehy W-104057 Q15634093 3,4,5,-trimethoxy benzaldehyde FT-0675585 3,4,5-Trimethoxybenzaldehyde, purum, >=98.0% (HPLC) 3, 4, 5-trimethoxy-benzaldehyde CHEMBL3577781 BBL007764 3,4,5-trimethoxybenzaldehyd SCHEMBL96635 AC-11732 Trimethoprim Intermediates Z104472688 T0059 BRN 0395163 NSC-16692 PD002060 A841837 86-81-7 3,4,5 -trimethoxybenzaldehyde STK498479 F3099-6595 CCG-231504 EN300-19082 3, 4, 5-trimethoxybenzaldehyde BCP30525 4-08-00-02719 (Beilstein Handbook Reference) LS-25170 MFCD00003364 SY010811 STR03224 3,4,5-Trimethoxybenzoic Acid,(S) DTXSID4058948 AKOS000118928 FT-0614154 InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H UNII-WL86YD76N6 NSC778227 3,4,5,-trimethoxybenzaldehyde AI3-36673 3,4,5-Trimethoxybenzaldehyde, 98% HY-W009886 FT-0675584 NSC-778227 AC7996 CS-W010602 3,4,5-TRIMETHOXYBENZALDEHYDE CS-T-45540

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物化性质

实验特性

LogP	1.52490
PSA	44.76000
折射率	1.5550 (estimate)
水溶性	微溶
沸点	165°C/10mmHg(lit.)
熔点	75.0 to 78.0 deg-C
闪点	163-165℃/10mm
溶解度	methanol: 0.1 g/mL, clear
颜色与性状	白色至微黄色针状晶体
敏感性	Air Sensitive
密度	1.2166 (rough estimate)

计算特性

精确分子量	196.07400
氢键供体数量	0
氢键受体数量	4
可旋转化学键数量	4
同位素质量	196.073559
重原子数量	14
复杂度	169
同位素原子数量	0
确定原子立构中心数量	0
不确定原子立构中心数量	0
确定化学键立构中心数量	0
不确定化学键立构中心数量	0
共价键单元数量	1
疏水参数计算参考值（XlogP）	0.9
互变异构体数量	无
表面电荷	0
拓扑分子极性表面积	44.8

安全信息纠错

符号：	GHS07
RTECS号	CU8462000
WGK Germany	3
安全说明	S22-S24/25
风险术语	R36/37/38
危险品标志	Xi C
危险品运输编号	NONH for all modes of transport
危害声明	H302-H315-H319
警示性声明	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
提示语	警告
储存条件	Store at room temperature
危险类别码	R36/37/38：对眼睛、呼吸道和皮肤有刺激作用。
信号词	Warning
TSCA	Yes

国际标准相关数据

EINECS

16692

海关数据

海关编码

29124900

海关数据

中国海关编码：

2912499000

概述：

2912499000. 其他醛醚、醛酚及含其他含氧基的醛. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 四聚甲醛报明外观

Summary：

2912499000. other aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen function. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

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专业数据库参考

PubChemId

87576078

参考资料

Reaxys RN	395163
Beilstein	8,391

产品用途

用于合成抗菌增效药甲氧苄氨嘧啶