4-Bromobenzophenone
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Basic information
- CAS
90-90-4- Standard SMILES
O=C(c1ccccc1)c1ccc(Br)cc1- InChIKey
KEOLYBMGRQYQTN-UHFFFAOYSA-N- Molecular formula
- C13H9BrO
- Average molar mass
- 261.11 g/mol
- Monoisotopic mass
- 259.98367701
Names & identifiers
- Preferred name
- 4-Bromobenzophenone
- IUPAC
- (4-bromophenyl)-phenylmethanone
- English name
- 4-BROMOBENZOPHENONE
- Molecular formula
- C13H9BrO
- Molecular weight
- 261.11
Names & synonyms
4-Bromobenzophenone(4-Bromophenyl)(phenyl)methanoneBENZOPHENONE, 4-BROMO-4-Bromophenyl phenyl ketonep-BenzoylbromobenzeneNSC 59863BRN 1910182EINECS 202-024-9DTXSID00753664-07-00-01378 (Beilstein Handbook Reference)pBromobenzophenonepBenzoylbromobenzene
Show more names
9-(4-broMophenyl)-9-phenyl-9H-fluoreneUSAF do-3P-BROMOBENZOPHENONE4-bromo-benzophenonLABOTEST-BB LT00053402p-Bromodiphenyl Ketone
Benzophenone, 4bromoRefChem:981794Bromophenyl phenyl ketoneMethanone, (4bromophenyl)phenylDTXCID9048697202-024-9KEOLYBMGRQYQTN-UHFFFAOYSA-N90-90-4
Database identifiers
- CAS
90-90-4- PubChem CID
- 7030
- DTXSID
DTXSID0075366- UNII
- XJ7EB9BC7F
- EC Number
- 202-024-9
- Nikkaji
- J42.004B
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzophenones
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionWhite odorless powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 79 · 79-84 °C(lit.)
- Boiling point
- 350 °C · 350 °C(lit.)
- Density
- 1.4245 · 1.4245 (rough estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- Flash point
- 350 °C · 350°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Powder
- color
- White to light beige
- Water Solubility
- Insoluble in water but slightly soluble in other solvents such as ethanol, ether and benzene.
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
Warning
H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryIntraperitoneal LD50 (mouse) = 100 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Benzophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (20%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- DJ0350000
- hs_code
- 29147000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromobenzophenone is used in analytical applications such as HPLC and GC. It is also used as a chemical reagent and pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
60 records
Compound notes
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