Basic information
- CAS
27339-38-4- Standard SMILES
O=Cc1ccoc1B(O)O- InChIKey
JUZCSXHYOWVCHI-UHFFFAOYSA-N- Molecular formula
- C5H5BO4
- Average molar mass
- 139.9 g/mol
- Monoisotopic mass
- 140.02808904
Overview
See also: (3-Formylfuran-2yl)boronic acid (annotation moved to).
Names & identifiers
- Preferred name
- 3-Formylfuran-2-boronic acid
- IUPAC
- (3-formylfuran-2-yl)boronic acid
- English name
- 3-Formylfuran-2-boronic acid
- Molecular formula
- C5H5BO4
- Molecular weight
- 139.9
Names & synonyms
3-Formylfuran-2-boronic acid27339-38-4(3-formylfuran-2-yl)boronic acid3-formylfuran-2-ylboronic acidFuran-2-boronic acid-3-carbaldehydeMFCD01075680(3-formyl-2-furyl)boronic Acid2-BORONO-3-FURALDEHYDEBC0007853-Formylfuran-2-Boronic3-Formylfurane-2-boronicacid3-formyl-2-furylboronic acid
Show more names
Formylfuran-2-boronic acid3-Formylfuran-2-boronic acid 97%3-Formylfuran-2-boronic acid,97%
3-Formyl-2-furanboronic acidSCHEMBL1133097RARECHEM AH PB 0214(3-formylfuran-2-yl)boronicacidDTXSID90395770JUZCSXHYOWVCHI-UHFFFAOYSA-NAKOS006229813AB08157
Database identifiers
- CAS
27339-38-4- PubChem CID
- 3739337
- DTXSID
DTXSID90395770- Nikkaji
- J2.520.498K
Properties
Computed structural properties
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 150 °C · 150°C (dec.)
- Boiling point
- 346.6 · 346.6±52.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- pka
- 7.94 · 7.94±0.53(Predicted)
- form
- powder
- color
- Pale orange
- Sensitive
- Air Sensitive
- BRN
- 1637137 · 1637137
- CAS DataBase Reference
- 27339 · 27339-38-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety data
- hs_code
- 2932190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant/Keep Cold
- safety_code
- 26-36
- hazard_class
- IRRITANT, AIR SENSITIVE, KEEP COLD
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in organic synthesis, agrochemical, pharmaceutical and dyestuff field.
Suppliers33 total
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]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Related reactions
9 records
Compound notes
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