Basic information
- Standard SMILES
Fc1cccc(CBr)c1- InChIKey
SCBZBMXPJYMXRC-UHFFFAOYSA-N- Molecular formula
- C7H6BrF
- Average molar mass
- 189.02 g/mol
- Monoisotopic mass
- 187.96369051
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-FluorobenzylbromideMFCD00000340Toluene, .alpha.-bromo-m-fluoro-alpha-Bromo-m-fluorotoluene3-(bromomethyl)-1-fluorobenzene
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)
- EPA Substance Registry System
- 1 · Benzene, 1-(bromomethyl)-3-fluoro- (456-41-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
- Safety Statements
- 23 · 23-26-27-36/37/39-45
- RIDADR
- 3265 · UN 3265 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive/Lachrymatory
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29036990 · 29036990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
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
- 29036990
- 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
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
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
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Related reactions
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