3-环戊氧-4-甲氧基苯甲醛

3-Cyclopentyloxy-4-methoxybenzaldehyde

HCID 2735893CAS 67387-76-2

子结构检索查找相似结构

基本信息

标准SMILES: COc1ccc(C=O)cc1OC1CCCC1
InChIKey: FZFWPURYSWKIRT-UHFFFAOYSA-N
分子式: C13H16O3
平均分子量: 220.26 g/mol
单同位素质量: 220.10994437

概述

structure in first source

名称与标识

首选名称: 3-Cyclopentyloxy-4-methoxybenzaldehyde
IUPAC: 3-cyclopentyloxy-4-methoxybenzaldehyde
中文名: 3-环戊氧-4-甲氧基苯甲醛
英文名: 3-CYCLOPENTYLOXY-4-METHOXYBENZALDEHYDE
分子式: C13H16O3
分子量: 220.26

名称与别名

3-cyclopentyloxy-4-methoxybenzaldehydeRefChem:9112553-(Cyclopentyloxy)-4-methoxybenzaldehyde67387-76-2GEBR-7bMFCD006731363-Cyclopentyloxy-4-methoxy-benzaldehyde2-(Cyclopentyloxy)-4-formylanisole3-cyclopentyloxy-4-methoxybenzylaldehydeGEBR 7b,GEBR7bOprea1_216715SCHEMBL70835

展开更多名称

3-环戊氧-4-甲氧基苯甲醛3-环戊氧基-4-甲氧基苯甲醛3-(环戊基氧基)-4-甲氧基苯甲醛3-环戊氧-4-甲氧基苯甲醛,10 MM DMSO 溶液Benzaldehyde, 3-(cyclopentyloxy)-4-methoxy-2-(Cyclopentyloxy)-4-formylanisole, (5-Formyl-2-methoxyphenoxy)cyclopentane

orb1306834orb1940576SCHEMBL7338297SCHEMBL29808190GEBR-7b, 10 mM in DMSODTXSID60371006FZFWPURYSWKIRT-UHFFFAOYSA-NCS-B1511

数据库标识

CAS: 67387-76-2
PubChem CID: 2735893
DTXSID: DTXSID60371006
EC Number: 809-475-6
Nikkaji: J1.026.910E

性质

结构计算性质

XLogP: 2.6
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 16
形式电荷: 0
复杂度: 223

物理化学性质

熔点: 107 · 107-110℃ (ethyl acetate )
沸点: 124 · 124-126°C
密度: 1.136 · 1.136±0.06 g/cm3 (20 ºC 760 Torr)
储存条件: 2 · 2-8°C, stored under nitrogen
外观: Light yellow to yellow Liquid
CAS 数据库: 67387 · 67387-76-2(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (97.4%)

安全数据

hazard_note: Irritant
安全说明: 26-37/39-36/37/39
海关编码: 2912490090
危险品标志: Xi,Xn
危险类别码: 36/37/38-22

化学与工业

上下游产品信息

上游原料

异香兰素 N,N-二甲基甲酰胺碘化钾甲苯碳酸钾乙酸乙酯甲醇溴代环戊烷石油醚

下游产品

S- (+)-Rolipram

试剂价格

Y17844 · 100mg: 3-(环戊基氧基)-4-甲氧基苯甲醛3-(Cyclopentyloxy)-4-methoxybenzaldehyde — 294元
Y17844 · 250mg: 3-(环戊基氧基)-4-甲氧基苯甲醛3-(Cyclopentyloxy)-4-methoxybenzaldehyde — 465元

供应商48 家

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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