1-Bromo-3-fluorobenzene
Basic information
- CAS
1073-06-9- Standard SMILES
Fc1cccc(Br)c1- InChIKey
QDFKKJYEIFBEFC-UHFFFAOYSA-N- Molecular formula
- C6H4BrF
- Average molar mass
- 175 g/mol
- Monoisotopic mass
- 173.94804
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-Bromo-3-fluorobenzene
- IUPAC
- 1-bromo-3-fluorobenzene
- English name
- 3-Bromofluorobenzene
- Molecular formula
- C6H4BrF
- Molecular weight
- 175
Names & synonyms
1-BROMO-3-FLUOROBENZENE3-Bromofluorobenzene1073-06-9m-BromofluorobenzeneBenzene, 1-bromo-3-fluoro-m-Fluorobromobenzene1-Fluoro-3-bromobenzenem-Fluorophenyl bromideBenzene, 1-fluoro-3-bromo-NSC-10267FP4T6BX2WDDTXSID9061461
Show more names
3-BromofL3-bromfluorbenzene3-bromofluorobenzne
RefChem:75109DTXCID3033066214-023-03-Bromfluorbenzen3-fluorobromobenzene3-fluoro-1-bromobenzene1-bromo-3-fluoro-BenzeneNSC 10267
Database identifiers
- CAS
1073-06-9- PubChem CID
- 14082
- DTXSID
DTXSID9061461- UNII
- FP4T6BX2WD
- EC Number
- 214-023-0
- Nikkaji
- J54.890A
Properties
Computed structural properties
- XLogP
- 3.2
- 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
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -8 °C · -8°C
- Boiling point
- 149 · 149-151 °C(lit.)
- Density
- 1.567 g/mL · 1.567 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.526(lit.)
- Flash point
- 102 °F · 102 °F
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 0.4 g/l · 0.4g/l
- form
- Liquid
- Specific Gravity
- 1.567 · 1.567
- color
- Clear colorless to light yellow
- Water Solubility
- insoluble
- BRN
- 1853969 · 1853969
- Henry's Law Constant
- 2.9 · 2.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
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
This chemical does not meet GHS hazard criteria for 2.5% (2 of 79) of reports.
Warning
H226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: 1-bromo-3-fluorobenzene (EC: 214-023-0)
1-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (97.5%)
Toxicology
RAIS Toxicity Values
0.03
SCREEN Current
0.0003
SCREEN Current
0.003
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
1-Bromo-3-fluorobenzene
PDF Document
Inadequate information to assess carcinogenic potential
2017
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-bromo-3-fluoro-: ACTIVE
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
194 records
Compound notes
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