Basic information
- CAS
402-52-8- Standard SMILES
COc1ccc(C(F)(F)F)cc1- InChIKey
CFIPQRIPCRRISV-UHFFFAOYSA-N- Molecular formula
- C8H7F3O
- Average molar mass
- 176.14 g/mol
- Monoisotopic mass
- 176.0448995
Names & identifiers
- Preferred name
- 1-Methoxy-4-(trifluoromethyl)benzene
- IUPAC
- 1-methoxy-4-(trifluoromethyl)benzene
- English name
- 4-(Trifluoromethyl)anisole
- Molecular formula
- C8H7F3O
- Molecular weight
- 176.14
Names & synonyms
1-methoxy-4-(trifluoromethyl)benzeneRefChem:433542672-509-14-(Trifluoromethyl)anisole402-52-84-METHOXYBENZOTRIFLUORIDE4-TrifluoromethylanisoleMFCD03094456Benzene, 1-methoxy-4-(trifluoromethyl)-1-methoxy-4-trifluoromethyl-benzenep-trifluoromethylanisole4-trifluoromethyl-anisol
Show more names
Compound PDK02144-(trifuoromethyl)anisole4-(Trifluoromethyl)anisole ,98%1-(Trifluoromethyl)-4-methoxybenzenemethyl 4-(trifluoromethyl)phenyl etherBenzene,1-Methoxy-4-(trifluoroMethyl)-4-(Trifluoromethyl)anisole【4-Methoxybenzotrifluoride】
4- Trifluoromethyl anisoleSCHEMBL103539SCHEMBL255255SCHEMBL535527orb3170315SCHEMBL1040662SCHEMBL9876731DTXSID10344942
Database identifiers
- CAS
402-52-8- PubChem CID
- 600604
- DTXSID
DTXSID10344942- EC Number
- 672-509-1
- Nikkaji
- J270.063H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.87
Physicochemical properties
- Melting point
- -9 ℃ · -9℃
- Boiling point
- 169 ℃/754mm · 169℃/754mm
- Density
- 1.245 · 1.245
- Flash point
- 60 ° · 60°(140°F)
- refractive index
- 1.445 · 1.4450
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Colorless to pale yellow
- InChI
- InChI=1S/C8H7F3O/c1-12-7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
- InChIKey
- CFIPQRIPCRRISV-UHFFFAOYSA-N
- SMILES
- C1(OC)=CC=C(C(F)(F)F)C=C1
- CAS DataBase Reference
- 402 · 402-52-8(CAS DataBase Reference)
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
Danger
H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]
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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (20%)
Safety data
- ridadr
- 1993
- hs_code
- 2909309090
- risk_code
- 10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 16-33
- hazard_class
- 3
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses4-(Trifluoromethyl)anisole is used as a pharmaceutical and pesticide intermediate.
Upstream & downstream products
Downstream products
Suppliers97 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [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]
T&W GROUP021-61551611 13296011611 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Related reactions
16 records
Compound notes
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