Basic information
- CAS
203245-17-4- Standard SMILES
COc1cc(F)c(F)c(F)c1- InChIKey
WVGMXLCSROHOIY-UHFFFAOYSA-N- Molecular formula
- C7H5F3O
- Average molar mass
- 162.11 g/mol
- Monoisotopic mass
- 162.02924926
Names & identifiers
- Preferred name
- 1,2,3-Trifluoro-5-methoxybenzene
- IUPAC
- 1,2,3-trifluoro-5-methoxybenzene
- English name
- 3,4,5-Trifluoroanisole
- Molecular formula
- C7H5F3O
- Molecular weight
- 162.11
Names & synonyms
1,2,3-trifluoro-5-methoxybenzeneRefChem:4108573,4,5-Trifluoroanisole203245-17-4Benzene, 1,2,3-trifluoro-5-methoxy-MFCD000423971,2,3-trifluoro-5-methoxy-benzene5-Methoxy-1,2,3-trifluorobenzeneBenzene, 1,2,3-trifluoro-5-methoxy- (9CI)SCHEMBL1998090SCHEMBL3759331SCHEMBL12015242
Show more names
Benzene, 1,2,3-trifluoro-5-methoxy- (9CI) ISO 9001：2015 REACH5-Methoxy-1,2,3-trifluorobenzene, Methyl 3,4,5-trifluorophenyl ether
SCHEMBL17110639DTXSID50380304WVGMXLCSROHOIY-UHFFFAOYSA-NCL9417SBB087566AKOS006228777JS-4194SB73975
Database identifiers
- CAS
203245-17-4- PubChem CID
- 2776946
- DTXSID
DTXSID50380304- EC Number
- 670-637-2
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 20 °C · 20°C
- Boiling point
- 39 °C/1mm · 39°C/1mm
- Density
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- refractive index
- 1.449 · 1.449
- Flash point
- 39 °C/1mm · 39°C/1mm
- form
- low melting solid
- color
- Colourless/white
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
- Hazard Codes
- F
- RIDADR
- 3271 · UN3271
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 2909309090 · 2909309090
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
H226 (80%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (20%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (20%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (20%)；Eye Irrit. 2 (20%)；STOT SE 3 (20%)
Safety data
- ridadr
- UN3271
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- F
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226
Chemistry & industry
Applications
Uses3,4,5-Trifluoroanisole is used as a pharmaceutical intermediate.
Suppliers38 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Syntechem Co.,Ltd[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]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
3 records
Compound notes
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