Basic information
- CAS
1072-85-1- Standard SMILES
Fc1ccccc1Br- InChIKey
IPWBFGUBXWMIPR-UHFFFAOYSA-N- Molecular formula
- C6H4BrF
- Average molar mass
- 175 g/mol
- Monoisotopic mass
- 173.94804045
Names & identifiers
- Preferred name
- 1-Bromo-2-fluorobenzene
- IUPAC
- 1-bromo-2-fluorobenzene
- English name
- 2-Bromofluorobenzene
- Molecular formula
- C6H4BrF
- Molecular weight
- 175
Names & synonyms
1-Bromo-2-fluorobenzene1072-85-12-Bromofluorobenzene2-Fluorobromobenzeneo-Bromofluorobenzeneo-Fluorobromobenzene2-BromfluorbenzenBENZENE, 1-BROMO-2-FLUORO-1-Fluoro-2-bromobenzene1-bromo-2-fluoro-benzeneBenzene, 1-fluoro-2-bromo-2-bromo-1-fluorobenzene
Show more names
2-Bromofluorobenzene99%1-Bromo-2-fL2-Flurobromobenzene-Bromofluorobenzene
MFCD00000282NSC 596961,2-FluorobromobenzeneBenzene, bromofluoro-NSC-596962-Bromfluorbenzen [Czech]2-Fluoro-1-bromobenzeneEINECS 214-018-3
Database identifiers
- CAS
1072-85-1- PubChem CID
- 61259
- DTXSID
DTXSID5061459- UNII
- MTK5K5PX8N
- EC Number
- 214-018-3
- Nikkaji
- J54.889H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [CAMEO] Aromatic odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -8 °C · -8°C
- Boiling point
- 78 · 78-82 °C50 mm Hg
- Density
- 1.601 g/mL · 1.601 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.534(lit.)
- Flash point
- 110 °F · 110 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.35 g/l · 0.35g/l
- form
- Liquid
- color
- Clear colorless to light yellow
- Specific Gravity
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information1-Bromo-2-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate eye and mild skin irritant; [RTECS] An irritant; [CAMEO] A mild skin and severe eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See Bromobenzene and o-Dichlorobenzene.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- DA1050000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29036990
- risk_code
- 10-36/37/38-22-20/21/22
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-2-fluoro-: ACTIVE
Applications
Uses1-Bromo-2-fluorobenzene is used as a reactant with cyclopenta-1,3-diene to produce 1,4-dihydro-1,4-methano-naphthalene. This reaction will need reagent Mg, and solvent diethyl ether. The reaction time is 3 hours with the temperature of 20°C,
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2,381 records
Compound notes
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