2,4,6-Trifluorobenzyl bromide
Basic information
- CAS
151411-98-2- Standard SMILES
Fc1cc(F)c(CBr)c(F)c1- InChIKey
SPPLWANVCVTGEQ-UHFFFAOYSA-N- Molecular formula
- C7H4BrF3
- Average molar mass
- 225.01 g/mol
- Monoisotopic mass
- 223.94484689
Names & identifiers
- Preferred name
- 2,4,6-Trifluorobenzyl bromide
- IUPAC
- 2-(bromomethyl)-1,3,5-trifluorobenzene
- English name
- 2,4,6-Trifluorobenzyl bromide
- Molecular formula
- C7H4BrF3
- Molecular weight
- 225.01
Names & synonyms
2,4,6-Trifluorobenzyl bromide151411-98-2DTXSID20380356RefChem:82121DTXCID60331382642-861-0SPPLWANVCVTGEQ-UHFFFAOYSA-N2-(bromomethyl)-1,3,5-trifluorobenzeneBenzene, 2-(bromomethyl)-1,3,5-trifluoro-MFCD000612102-(bromomethyl)-1,3,5-trifluoro-benzeneSCHEMBL189364
Show more names
à-bromo-2,4,6-trifluorotoluene2,4,6-Trifluorobenzylbromide97%2,4,6-Trifluorobenzyl bromide 97%alpha-Bromo-2,4,6-trifluorotoluene
CK2040SBB096755AKOS009158634AC-26205AS-45854SY2277462,4,6-trifluorobenzyl bromide, AldrichCPREN300-1912473
Database identifiers
- CAS
151411-98-2- PubChem CID
- 2777059
- DTXSID
DTXSID20380356- EC Number
- 642-861-0
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 177.4 · 177.4±35.0 °C(Predicted)
- Density
- 1.71 · 1.710±0.06 g/cm3(Predicted)
- refractive index
- 1.502 · 1.502
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- liquid
- color
- Pale yellow
- Sensitive
- Lachrymatory
- BRN
- 8763072 · 8763072
- InChI
- InChI=1S/C7H4BrF3/c8-3-5-6(10)1-4(9)2-7(5)11/h1-2H,3H2
- InChIKey
- SPPLWANVCVTGEQ-UHFFFAOYSA-N
- SMILES
- C1(F)=CC(F)=CC(F)=C1CBr
- CAS DataBase Reference
- 151411 · 151411-98-2(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
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
H301 (83%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (83%)
Safety data
- wgk
- WGK 3
- tsca
- T
- ridadr
- 1760
- hs_code
- 2903998090
- risk_code
- 34-36-25
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,T
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- Hazard statements
- H314-H318
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Related reactions
15 records
Compound notes
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