Basic information
- CAS
852180-63-3- Standard SMILES
OCc1cc(-c2ccco2)on1- InChIKey
NBBDGNIUCJFJPO-UHFFFAOYSA-N- Molecular formula
- C8H7NO3
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.04259309
Names & identifiers
- Preferred name
- (5-(Furan-2-yl)-1,2-oxazol-3-yl)methanol
- IUPAC
- [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol
- English name
- [5-(2-Furyl)isoxazol-3-yl]methanol
- Molecular formula
- C8H7NO3
- Molecular weight
- 165.15
Names & synonyms
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanol(5-(Furan-2-yl)-1,2-oxazol-3-yl)methanolRefChem:403663965-751-7852180-63-3[5-(2-Furyl)isoxazol-3-yl]methanol(5-(furan-2-yl)isoxazol-3-yl)methanol[5-(2-furyl)-3-isoxazolyl]methanolMFCD07772820(5-(2-furyl)isoxazol-3-yl)methan-1-ol5-(2-Furanyl)-3-isoxazolylmethanol(5-furan-2-yl-isoxazol-3-yl)-methanol
Show more names
AKOS PAO-14443-Isoxazolemethanol, 5-(2-furanyl)-[5-(2-Furyl)isoxazol-3-yl]methanol 97%5-(furan-2-yl)-1,2-oxazol-3-yl]methanol[5-(2-furyl)-3-isoxazolyl]methanol(SALTDATA: FREE)
SCHEMBL1474547DTXSID40428188NBBDGNIUCJFJPO-UHFFFAOYSA-NSBB073376STL414852AKOS000126560CCG-309938BS-38466
Database identifiers
- CAS
852180-63-3- PubChem CID
- 7164591
- DTXSID
DTXSID40428188
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 90 °C · 90 °C
- Boiling point
- 337.3 · 337.3±32.0 °C(Predicted)
- Density
- 1.296 · 1.296±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2932190090 · 2932190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
5 records
Compound notes
Loading…