Basic information
- CAS
426831-32-5- Standard SMILES
COc1ccc(F)cc1CO- InChIKey
NJDNHGOIOZXFCB-UHFFFAOYSA-N- Molecular formula
- C8H9FO2
- Average molar mass
- 156.15 g/mol
- Monoisotopic mass
- 156.05865775
Names & identifiers
- Preferred name
- (5-Fluoro-2-methoxyphenyl)methanol
- IUPAC
- (5-fluoro-2-methoxyphenyl)methanol
- English name
- 5-Fluoro-2-Methoxybenzyl alcohol
- Molecular formula
- C8H9FO2
- Molecular weight
- 156.15
Names & synonyms
(5-fluoro-2-methoxyphenyl)methanol426831-32-5DTXSID70621504RefChem:404035DTXCID60572258610-053-75-Fluoro-2-methoxybenzyl alcoholMFCD00671767Benzenemethanol, 5-fluoro-2-methoxy- (9CI)Benzenemethanol,5-fluoro-2-methoxy-3-FLUORO-6-METHOXYBENZYL ALCOHOLp-fluoroanisole-methanol
Show more names
(5-Fluoro-2-methoxyphenyl)5-Fluoro-3-methoxybenzyl alcoholBenzenemethanol, 5-fluoro-2-methoxy-
SCHEMBL2908313SCHEMBL7661925SCHEMBL16955823NJDNHGOIOZXFCB-UHFFFAOYSA-N(5-fluoro-2-methoxy-phenyl)methanolCK2473SBB087136(5-Fluoro-2-methoxy-phenyl)-methanol
Database identifiers
- CAS
426831-32-5- PubChem CID
- 22014996
- DTXSID
DTXSID70621504- EC Number
- 610-053-7
- Nikkaji
- J3.237.220A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 242 ℃ · 242℃
- Density
- 1.187 · 1.187
- Flash point
- 119 ℃ · 119℃
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.09 · 14.09±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C8H9FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
- InChIKey
- NJDNHGOIOZXFCB-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC(F)=CC=C1OC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2909498090 · 2909498090
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (98.1%)
Safety data
- hs_code
- 2909498090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers62 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
14 records
Compound notes
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