5-甲氧基甲基-2-呋喃甲醛

5-(Methoxymethyl)-2-furaldehyde

HCID 74711CAS 1917-64-2

子结构检索查找相似结构

基本信息

标准SMILES: COCc1ccc(C=O)o1
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
分子式: C7H8O3
平均分子量: 140.14 g/mol
单同位素质量: 140.04734411

名称与标识

首选名称: 5-(Methoxymethyl)-2-furaldehyde
IUPAC: 5-(methoxymethyl)furan-2-carbaldehyde
中文名: 5-甲氧基甲基-2-呋喃甲醛
英文名: 5-(Methoxymethyl)-2-furaldehyde
分子式: C7H8O3
分子量: 140.14

名称与别名

5-(methoxymethyl)furan-2-carbaldehyde5-(METHOXYMETHYL)-2-FURALDEHYDE5-(Methoxymethyl)-2-furancarboxaldehyde2-Furancarboxaldehyde, 5-(methoxymethyl)-5-methoxymethylfurfural5XBV4H5CX7DTXSID30172704EC 700-511-5RefChem:531367DTXCID3095195700-511-51917-64-2

展开更多名称

糠醛杂质355-甲氧甲基-2-呋喃甲醛5-甲氧基甲基-2-呋喃甲醛5-(甲氧基甲基)呋喃-2-甲醛AKOS B001201)furan-2-carbaLART-CHEM-BB B001201Furfural Impurity 355-(Methoxymethyl)furfural5-METHOXYMETHYL-FURAN-2-CARBALDEHYDE2-Furancarboxaldehyde,5-(methoxymethyl)-

5-Methoxymethylfuran-2-carbaldehyde5-Methoxymethyl furfuralMFCD02253954ICCB1_0000905-(Methoxymethyl)furan-2-carboxaldehydeUNII-5XBV4H5CX75-Methoxymethyl-2-furaldehydeSCHEMBL721921

数据库标识

CAS: 1917-64-2
PubChem CID: 74711
DTXSID: DTXSID30172704
ChEBI: CHEBI:229022
UNII: 5XBV4H5CX7
EC Number: 700-511-5
Nikkaji: J358.089J

性质

结构计算性质

XLogP: 0
极性表面积: 39.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 10
形式电荷: 0
复杂度: 113

物理化学性质

熔点: -8 °C · -8 °C
沸点: 68 · 68-70 °C(Press: 2 Torr)
密度: 1.146 g/cm3 · 1.146 g/cm3(Temp: 17.9 °C)
蒸气压: 1.8 · 1.8-3.2Pa at 20-25℃
储存条件: 2 · under inert gas (nitrogen or Argon) at 2-8°C
形态: liquid
颜色: Light yellow to yellow
InChI: InChI=1S/C7H8O3/c1-9-5-7-3-2-6(4-8)10-7/h2-4H,5H2,1H3
InChIKey: ASHVULSQMDWKFO-UHFFFAOYSA-N
SMILES: O1C(COC)=CC=C1C=O
LogP: 0.23 at · 0.23 at 20℃ and pH6.4-6.6
表面张力: 70.8 mN/m · 70.8mN/m at 1g/L and 20℃

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (66.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (33.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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.

危害信息

Regulatory InformationStatus: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Skin Sens. 1B (100%)；Eye Irrit. 2 (66.7%)；Aquatic Chronic 1 (66.7%)；Aquatic Chronic 2 (33.3%)

法规信息

Regulatory InformationStatus: Active Update: 12-07-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/10620

安全数据

海关编码: 2932190090

化学与工业

上下游产品信息

下游产品

5-甲氧基甲基-2-糠酸

试剂价格

XW19176421 · 50MG: 5-(甲氧基甲基)呋喃-2-甲醛 — 29元

供应商50 家

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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