Basic information
- CAS
38786-67-3- Standard SMILES
CC(Br)C(=O)c1ccc(Br)cc1- InChIKey
GKALOSTUZMFUQB-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O
- Average molar mass
- 291.97 g/mol
- Monoisotopic mass
- 289.89419
Names & identifiers
- Preferred name
- 2,4'-Dibromopropiophenone
- IUPAC
- 2-bromo-1-(4-bromophenyl)propan-1-one
- English name
- 2,4'-Dibromopropiophenone
- Molecular formula
- C9H8Br2O
- Molecular weight
- 291.97
Names & synonyms
Show more names
Database identifiers
- CAS
38786-67-3- PubChem CID
- 603907
- EC Number
- 627-605-8
- Nikkaji
- J1.379.539H
Properties
Computed structural properties
- XLogP
- 3.5
- 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
- 85 · 85-88 °C(lit.)
- Density
- 1.746 · 1.746
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Crystalline Powder
- color
- White to light orange
- InChI
- 1S/C9H8Br2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
- InChIKey
- GKALOSTUZMFUQB-UHFFFAOYSA-N
- SMILES
- CC(Br)C(=O)c1ccc(Br)cc1
- 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-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 22 · 22-26-27-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Corrosive
- HazardClass
- 8 · 8
- HS Code
- 29147000 · 29147000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 Kg · 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];H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29147000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 22-26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
Uses2,4′-Dibromopropiophenone may be used in the preparation of 1-(4-bromophenyl)-2-[(3,5-dimethoxyphenyl)amino]propanone (aniline ketone).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers46 total
Related reactions
Compound notes
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