2,5-Dichlorobenzophenone
Completing data — refresh the page later to see the latest
Basic information
- CAS
16611-67-9- Standard SMILES
O=C(c1ccccc1)c1cc(Cl)ccc1Cl- InChIKey
FAVKIHMGRWRACA-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2O
- Average molar mass
- 251.1 g/mol
- Monoisotopic mass
- 249.99522024
Names & identifiers
- Preferred name
- 2,5-Dichlorobenzophenone
- IUPAC
- (2,5-dichlorophenyl)-phenylmethanone
- English name
- 2,5-Dichlorobenzophenone
- Molecular formula
- C13H8Cl2O
- Molecular weight
- 251.11
Names & synonyms
2,5-Dichlorobenzophenone16611-67-9(2,5-dichlorophenyl)(phenyl)methanoneDTXSID30332482RefChem:444335DTXCID20283575605-427-1methanone, (2,5-dichlorophenyl)phenyl-(2,5-dichlorophenyl)-phenylmethanoneMFCD00079746C13H8Cl2OSCHEMBL230930
Show more names
2,5-Dichlorobenzophe2,5-Dichlorobenzophenone 98%2,5-dichlorodibenzenemethylone2,5-Dichlorophenylphenyl ketone(2,5-Dichlorophenyl)-(phenyl)methanone
(2,5-dichlorophenyl)phenylmethanone150347-09-4SCHEMBL296126382,5-dichlorophenyl phenyl ketoneSBB068331(2,5-dichlorophenyl)-phenyl-methanoneAKOS009338708PS-7466
Database identifiers
- CAS
16611-67-9- PubChem CID
- 458188
- DTXSID
DTXSID30332482- EC Number
- 605-427-1
- Nikkaji
- J82.526C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 87 · 87-88°C
- Boiling point
- 240 · 240-260 °C
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- crystals
- color
- Off-white to brown
- InChI
- InChI=1S/C13H8Cl2O/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H
- InChIKey
- FAVKIHMGRWRACA-UHFFFAOYSA-N
- SMILES
- C(C1=CC(Cl)=CC=C1Cl)(C1=CC=CC=C1)=O
- CAS DataBase Reference
- 16611 · 16611-67-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H410
- Precautionary statements
- 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P312-P330-P363-P403-P501c
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2914790090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H410
- Precautionary statements
- P261-P264b-P270-P271-P280-P302+P352-P304+P340-P312-P330-P363-P403-P501c
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, (2,5-dichlorophenyl)phenyl-: ACTIVE
Applications
Uses2,5-Dichlorobenzophenones can be used as starting materials for general, pharmaceutical and polymer synthesis. For example, using such compounds to prepare substituted para-polyphenylenes should proceed readily by metal-catalyzed aryl coupling of the 2,5-dichlorophenyl group of these compounds. Polyphenylenes formed from these compounds will have pendant side groups comprising the carbonyl, and the aryl or pyridyl group bonded thereto.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
21 records
Compound notes
Loading…