2,2,4'-Tribromoacetophenone
Basic information
- CAS
13195-79-4- Standard SMILES
O=C(c1ccc(Br)cc1)C(Br)Br- InChIKey
KFTUNOVZJWIKFX-UHFFFAOYSA-N- Molecular formula
- C8H5Br3O
- Average molar mass
- 356.84 g/mol
- Monoisotopic mass
- 353.78905
Names & identifiers
- Preferred name
- 2,2,4'-Tribromoacetophenone
- IUPAC
- 2,2-dibromo-1-(4-bromophenyl)ethanone
- English name
- alpha,alpha,4-Tribromoacetophenone
- Molecular formula
- C8H5Br3O
- Molecular weight
- 356.84
Names & synonyms
13195-79-42,2-Dibromo-1-(4-bromophenyl)ethanone2,2,4'-Tribromoacetophenone2,2-Dibromo-1-(4-bromophenyl)ethan-1-oneEthanone, 2,2-dibromo-1-(4-bromophenyl)-ACETOPHENONE, 2,2,4'-TRIBROMO-4alpha,alpha-Tribromoacetophenone4,alpha,alpha-TribromoacetophenoneEINECS 236-161-0NSC 78440BRN 1949157H2T74NH652
Show more names
Nsc78440Wln: eyevr de4,A,A-TRIBROMOACETOPHENONEP,A,A-TRIBROMOACETOPHENONE±,±,p-Tribromoacetophenoneα,α,4'-Tribromoacetophenone2,2,4’-tribromo-acetophenonα,α,para-tribromoacetophenone
NSC-78440DTXSID901572793-07-00-00987 (Beilstein Handbook Reference)RefChem:440668DTXCID4079770Ethanone, 2,2-dibromo-1-(4-bromophenyl)-(9CI)236-161-0MFCD00017858
Database identifiers
- CAS
13195-79-4- PubChem CID
- 25776
- DTXSID
DTXSID90157279- UNII
- H2T74NH652
- EC Number
- 236-161-0
- Nikkaji
- J54.910J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 91 · 91-94 °C(lit.)
- Boiling point
- 160 · 160-162 °C(Press: 3 Torr)
- Density
- 2.177 · 2.177±0.06 g/cm3(Predicted)
- form
- solid
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C8H5Br3O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
- InChIKey
- KFTUNOVZJWIKFX-UHFFFAOYSA-N
- SMILES
- BrC(Br)C(=O)c1ccc(Br)cc1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 T74NH652 · H2T74NH652
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- rtecs
- AN0526000
- ridadr
- UN 3261 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314-H318
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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