Basic information
- Standard SMILES
CCOC(=O)c1ccoc1- InChIKey
LOFDXZJSDVCYAS-UHFFFAOYSA-N- Molecular formula
- C7H8O3
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.04734411
Names & identifiers
- Preferred name
- Ethyl 3-furoate
- IUPAC
- ethyl furan-3-carboxylate
- English name
- Ethyl 3-furancarboxylate
- Molecular formula
- C7H8O3
- Molecular weight
- 140.14
Names & synonyms
Ethyl 3-furoate614-98-2Ethyl 3-Furancarboxylate3-Furancarboxylic acid, ethyl esterEINECS 210-403-5I8Q0YN919KNSC-349939DTXSID90210333NSC 349939RefChem:594961DTXCID90132824210-403-5
Show more names
Ethyl-3-fluroateEthyl 3-furoate,99%RARECHEM AL BI 0196Ethyl 3-furoate 98%Ethyl 3-furoate, GC 99%3-FUROIC ACID ETHYL ESTEREthyl3-Furancarboxylate>
ethyl furan-3-carboxylateMFCD00005348ETHYL-3-FUROATEethylfuran-3-carboxylateSCHEMBL624090GEO-03433AKOS009165562SB61197
Database identifiers
- CAS
614-98-2- PubChem CID
- 69201
- DTXSID
DTXSID90210333- ChEBI
CHEBI:193961- UNII
- I8Q0YN919K
- EC Number
- 210-403-5
- Nikkaji
- J297.792C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 93 · 93-95 °C35 mm Hg(lit.)
- Density
- 1.038 g/mL · 1.038 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.46(lit.)
- Flash point
- 139 °F · 139 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C7H8O3/c1-2-10-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3
- InChIKey
- LOFDXZJSDVCYAS-UHFFFAOYSA-N
- SMILES
- O1C=CC(C(OCC)=O)=C1
- LogP
- 1.78 · 1.780
- CAS DataBase Reference
- 614 · 614-98-2(CAS DataBase Reference)
- FDA UNII
- 8 Q0YN919K · I8Q0YN919K
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P243
- Hazard Codes
- 226 · Xi,H226
- Safety Statements
- 24 · 24/25
- RIDADR
- 3272 · UN 3272 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Keep Cold
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29321900 · 29321900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 · Flam. Liq. 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29321900
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi,H226
- hazard_note
- Irritant/Keep Cold
- safety_code
- 24/25
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241-P242-P243
Chemistry & industry
Applications
UsesEthyl 3-furoate was used as starting reagent for the synthesis of ethyl 2,3-bis(trifluoromethyl)-7-oxabicyclo[2,2,1]hepta-2,5-diene-5-carboxylate and 4-(1-hydroxy-1-methyl-ethyl)-furan-2-sulfonamide.
General DescriptionEthyl 3-furoate undergoes regioselective palladium(0)-catalyzed arylation reaction with aryl bromides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
杭州东帆化学有限公司86-0571-85151182
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
Qingdao Dexin Chemical Co., Ltd+86-15553333686 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
天津福瑞凯科技有限公司15602163079 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
杭州凯邦生物科技有限公司0571-88937695 88937835 13606537248 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
江西普欣生物科技有限公司15867635987
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
浙江泽天精细化工有限公司0571-87322520 18957127338 · [email protected]
江阴瑞生化学有限公司13003356808 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Additional notes
DefinitionChEBI: Ethyl 3-furoate is a carboxylic ester. It is functionally related to a 2-furoic acid.
Related reactions
29 records
Linked notes
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