Basic information
- CAS
1422-53-3- Standard SMILES
Cc1ccc(F)cc1Br- InChIKey
SFGFOJPGCOYQJK-UHFFFAOYSA-N- Molecular formula
- C7H6BrF
- Average molar mass
- 189.02 g/mol
- Monoisotopic mass
- 187.96369051
Names & identifiers
- Preferred name
- 2-Bromo-4-fluorotoluene
- IUPAC
- 2-bromo-4-fluoro-1-methylbenzene
- English name
- 2-Bromo-4-fluorotoluene
- Molecular formula
- C7H6BrF
- Molecular weight
- 189.02
Names & synonyms
2-Bromo-4-fluorotoluene1422-53-3EINECS 215-830-0DTXSID70161970RefChem:466556DTXCID7084461215-830-02-Bromo-4-fluoro-1-methylbenzeneBenzene, 2-bromo-4-fluoro-1-methyl-MFCD000408282-BROMO-4-FLUORO TOLUENE2-bromo-4-fluoro-1-methyl-benzene
Show more names
2-Bromo-4-fluorotoluCL0272-Brom-4-fluortoluol2-Bromo-4-flurotoluene2-Bromo-4-fluorotoluene99%2-Bromo-4-fluorotoluene 99%2-Bromo-4-fluorotoluene,97%2-Bromo-4-fluorotoluene >
SCHEMBL2571394-fluoro-2-bromotoluene2-Bromo-4-fluorotoluene, 98%AKOS000121087CS-W015975AC-6885F0001-0503AM61332
Database identifiers
- CAS
1422-53-3- PubChem CID
- 74016
- DTXSID
DTXSID70161970- UNII
- 9GVT2PZ9FR
- EC Number
- 215-830-0
- Nikkaji
- J298.608F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Boiling point
- 170 · 170-172 °C (lit.)
- Density
- 1.526 g/mL · 1.526 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.528(lit.)
- Flash point
- 148 °F · 148 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Clear, faint yellow/faint green
- Specific Gravity
- 1.526 · 1.526
- BRN
- 1859038 · 1859038
- InChI
- InChI=1S/C7H6BrF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
- InChIKey
- SFGFOJPGCOYQJK-UHFFFAOYSA-N
- SMILES
- C1(C)=CC=C(F)C=C1Br
- CAS DataBase Reference
- 1422 · 1422-53-3(CAS DataBase Reference)
- FDA UNII
- 9 GVT2PZ9FR · 9GVT2PZ9FR
- NIST Chemistry Reference
- 2 · 2-Bromo-4-fluorotoluene(1422-53-3)
- 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 · 26-36/37/39-37/39
- RIDADR
- 2810 · UN 2810
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29039990 · 29039990
- 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 8 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
- ridadr
- UN 2810
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-37/39
- 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-fluorotoluene may be used in the preparation of meta-fluoro analog, (tris(5-fluoro-2-methylphenyl)phosphane, F-TOTP).
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
40 records
Compound notes
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