4-Bromo-3-(trifluoromethyl)benzyl bromide
Basic information
- CAS
1159512-68-1- Standard SMILES
FC(F)(F)c1cc(CBr)ccc1Br- InChIKey
UHHXITPNGSCOBA-UHFFFAOYSA-N- Molecular formula
- C8H5Br2F3
- Average molar mass
- 317.93 g/mol
- Monoisotopic mass
- 315.87101
Names & identifiers
- Preferred name
- 4-Bromo-3-(trifluoromethyl)benzyl bromide
- IUPAC
- 1-bromo-4-(bromomethyl)-2-(trifluoromethyl)benzene
- English name
- 1-Bromo-4-bromomethyl-2-trifluoromethyl-benzene
- Molecular formula
- C8H5Br2F3
- Molecular weight
- 317.93
Names & synonyms
4-Bromo-3-(trifluoromethyl)benzyl bromideRefChem:519879960-808-21159512-68-11-Bromo-4-(bromomethyl)-2-(trifluoromethyl)benzeneMFCD080591281-BROMO-4-BROMOMETHYL-2-TRIFLUOROMETHYL-BENZENEBenzene, 1-bromo-4-(bromomethyl)-2-(trifluoromethyl)-5R7CSF3HAGSCHEMBL1639279SCHEMBL30626572DTXSID201229655
Show more names
1-Bromo-4-(bromomethyl)-2-(trifluoromethyl)benzene, 2-Bromo-5-(bromomethyl)benzotrifluoride
AKOS017558991PS-99504-Bromo-3-(trifluoromethyl)benzylbromideSY2614064-Bromo-3-(trifluoromethyl)-benzyl bromideDB-407659EN300-3073919F796849
Database identifiers
- CAS
1159512-68-1- PubChem CID
- 45933701
- DTXSID
DTXSID201229655- UNII
- 5R7CSF3HAG
- EC Number
- 960-808-2
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 250.7 · 250.7±35.0 °C(Predicted)
- Density
- 1.885 · 1.885±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere, 2-8℃
- form
- crystalline solid
- color
- White
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 301 · P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
- HS Code
- 2903998090 · 2903998090
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2903998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses4-Bromo-3-(trifluoromethyl)benzyl bromide is an organic reagent containing multiple substitution groups, which can be used in the preparation of active pharmaceutical ingredients and organic chemical products.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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