3-Fluorobenzyl bromide
Basic information
- CAS
456-41-7- Standard SMILES
Fc1cccc(CBr)c1- InChIKey
SCBZBMXPJYMXRC-UHFFFAOYSA-N- Molecular formula
- C7H6BrF
- Average molar mass
- 189.02 g/mol
- Monoisotopic mass
- 187.96369
Names & identifiers
- Preferred name
- 3-Fluorobenzyl bromide
- IUPAC
- 1-(bromomethyl)-3-fluorobenzene
- English name
- 3-Fluorobenzyl bromide
- Molecular formula
- C7H6BrF
- Molecular weight
- 189.02
Names & synonyms
3-Fluorobenzyl bromide456-41-7Benzene, 1-(bromomethyl)-3-fluoro-alpha-Bromo-3-fluorotoluenemeta-Fluorobenzyl bromideEINECS 207-263-2NSC 91494.alpha.-Bromo-3-fluorotolueneDTXSID9060025RefChem:93952DTXCID3040437SCBZBMXPJYMXRC-UHFFFAOYSA-N
Show more names
3-Fluorobenzyl bromiEtomidate Impurity 543-Fluro Benzyl Bromideà-bromo-3-fluorotolueneα-BroMo-M-fluorotolueneα-Bromo-3-fluorotoluene
1-(Bromomethyl)-3-fluorobenzene3-fluorobenzylbromidem-fluorobenzyl bromidem-Fluorobenzylbromidealpha-Bromo-m-fluorotolueneToluene, .alpha.-bromo-m-fluoro-MFCD00000340a-Bromo-3-fluorotoluene
Database identifiers
- CAS
456-41-7- PubChem CID
- 68007
- DTXSID
DTXSID9060025- EC Number
- 207-263-2
- Nikkaji
- J57D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 88 °C20 · 88 °C20 mm Hg(lit.)
- Density
- 1.541 g/mL · 1.541 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.546(lit.)
- Flash point
- 143 °F · 143 °F
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- Liquid
- Specific Gravity
- 1.541 · 1.541
- color
- Clear colorless to yellow
- Sensitive
- Lachrymatory
- BRN
- 636503 · 636503
- InChI
- 1S/C7H6BrF/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2
- InChIKey
- SCBZBMXPJYMXRC-UHFFFAOYSA-N
- SMILES
- Fc1cccc(CBr)c1
- CAS DataBase Reference
- 456 · 456-41-7(CAS DataBase Reference)
- NIST Chemistry Reference
- -3 · «alpha»-Bromo-3-fluorotoluene(456-41-7)
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information3-Fluorobenzyl bromide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2903999090
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 23-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(bromomethyl)-3-fluoro-: INACTIVE
Applications
Uses3-Fluorobenzyl Bromide is a substituted benzyl bromide used as a reagent in the preparation of wide range of biologically active compounds such as antidiabetic drugs, anti-virals and anti-cancer agen ts.
Preparation methods
Preparation3-Fluorobenzyl bromide is synthesized from fluorobenzene as the starting material in a one-step bromomethylation process.
Upstream & downstream products
Downstream products
Related reactions
386 records
Compound notes
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