Basic information
- CAS
452-08-4- Standard SMILES
COc1ccc(F)cc1Br- InChIKey
JIQXVIJARQLCOY-UHFFFAOYSA-N- Molecular formula
- C7H6BrFO
- Average molar mass
- 205.02 g/mol
- Monoisotopic mass
- 203.95860513
Names & identifiers
- Preferred name
- 2-Bromo-4-fluoroanisole
- IUPAC
- 2-bromo-4-fluoro-1-methoxybenzene
- English name
- 2-Bromo-4-fluoroanisole
- Molecular formula
- C7H6BrFO
- Molecular weight
- 205.02
Names & synonyms
2-Bromo-4-fluoroanisole2-Bromo-4-fluoro-1-methoxybenzeneJIQXVIJARQLCOY-UHFFFAOYSA-NSC 10328DTXSID00196417RefChem:466544DTXCID10118908610-229-3InChI=1/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3452-08-4Benzene, 2-bromo-4-fluoro-1-methoxy-MFCD00012014
Show more names
2-Bromo-4-fluoroanis2-Bromo-4-FlouroAnisole4-FLUORO-2-BROMO ANISOLE2-Bromo-4-fluoroanisole97%2-Bromo-4-fluoroanisole>2-Bromo-4-fluoroanisole,98%2-Bromo-4-fluoroanisole 97%2-Bromo-4-fluoroanisole, 96%
2-bromo-4-fluoro-1-methoxy-benzene2-bromo-4-fluoro-anisoleSCHEMBL504965AC-3756PS-81222-bromo-4-fluoro anisoleNSC103282-bromo-4-fluoroanisol
Database identifiers
- CAS
452-08-4- PubChem CID
- 136292
- DTXSID
DTXSID00196417- EC Number
- 610-229-3
- Nikkaji
- J308.988F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 89 °C/1 · 89 °C/1 mmHg (lit.)
- Density
- 1.581 g/mL · 1.581 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.545(lit.)
- Flash point
- 209 °F · 209 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.581 · 1.581
- BRN
- 2358880 · 2358880
- InChI
- InChI=1S/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
- InChIKey
- JIQXVIJARQLCOY-UHFFFAOYSA-N
- SMILES
- C1(OC)=CC=C(F)C=C1Br
- CAS DataBase Reference
- 452 · 452-08-4(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Bromo-4-fluoroanisole(452-08-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29093090 · 29093090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromo-4-fluoroanisole was used in the synthesis of (5-fluoro-2-methoxyphenyl)methanol.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
39 records
Compound notes
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