alpha,alpha-Difluoro-p-methylanisole
Basic information
- CAS
1583-83-1- Standard SMILES
Cc1ccc(OC(F)F)cc1- InChIKey
DJDQNISEJVPQCS-UHFFFAOYSA-N- Molecular formula
- C8H8F2O
- Average molar mass
- 158.14 g/mol
- Monoisotopic mass
- 158.0543212
Names & identifiers
- Preferred name
- alpha,alpha-Difluoro-p-methylanisole
- IUPAC
- 1-(difluoromethoxy)-4-methylbenzene
- English name
- 4-(Difluoromethoxy)toluene
- Molecular formula
- C8H8F2O
- Molecular weight
- 158.15
Names & synonyms
1-(difluoromethoxy)-4-methylbenzeneBenzene, 1-(difluoromethoxy)-4-methyl-alpha,alpha-Difluoro-p-methylanisole8MNQ5HZ4LHEINECS 216-434-0DTXSID20166399RefChem:111012DTXCID40888901583-83-14-(Difluoromethoxy)toluene4-Methyl-1-(difluoromethoxy)benzeneMFCD00042253
Show more names
tris(2-mercaptoethyl) borateα,α-difluoro-p-methylanisole4-(Difluoromethoxy)toluene97%4-(Difluoromethoxy)toluene 97%Anisole,α,α-difluoro-p-methyl-Difluoromethyl4-methylphenylether
4-difluoromethoxytolueneF20986difluoro(4-methylphenoxy)methaneA-aminobutenateAB1005582alpha,alpha-Difluoro-4-UNII-8MNQ5HZ4LHSCHEMBL97169
Database identifiers
- CAS
1583-83-1- PubChem CID
- 74104
- DTXSID
DTXSID20166399- UNII
- 8MNQ5HZ4LH
- EC Number
- 216-434-0
- Nikkaji
- J206.824I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
LogP2.88
Physicochemical properties
- Melting point
- 165 · 165-167 °C
- Boiling point
- 50 °C · 50 °C
- Density
- 1.133 g/cm3 · 1.133 g/cm3
- refractive index
- 1.452 to · 1.4520 to 1.4560
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- CAS DataBase Reference
- 1583 · 1583-83-1(CAS DataBase Reference)
- FDA UNII
- 8 MNQ5HZ4LH · 8MNQ5HZ4LH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2902900000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
4 records
Compound notes
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