3-Chlorobenzophenone
Basic information
- CAS
1016-78-0- Standard SMILES
O=C(c1ccccc1)c1cccc(Cl)c1- InChIKey
CPLWKNRPZVNELG-UHFFFAOYSA-N- Molecular formula
- C13H9ClO
- Average molar mass
- 216.66 g/mol
- Monoisotopic mass
- 216.0341926
Names & identifiers
- Preferred name
- 3-Chlorobenzophenone
- IUPAC
- (3-chlorophenyl)-phenylmethanone
- English name
- 3-Chlorobenzophenone
- Molecular formula
- C13H9ClO
- Molecular weight
- 216.66
Names & synonyms
3-Chlorobenzophenone1016-78-0Methanone, (3-chlorophenyl)pheny-EINECS 213-809-0NSC 5456RefChem:500464213-809-0(3-Chlorophenyl)(phenyl)methanoneMethanone, (3-chlorophenyl)phenyl-m-ChlorobenzophenoneBenzophenone, 3-chloro-(3-chlorophenyl)-phenylmethanone
Show more names
3-chlroobenzophenoneCetirizine Impurity SLABOTEST-BB LT00159867Cloperastine Impurity 23-Chlorobenzophenone >3-CHLOROBENZOPHENONE 97%
MFCD00009816Cetirizine Impurity 193-chlorophenyl phenyl ketone5-chlorobenzophenoneNSC5456NSC-5456CPLWKNRPZVNELG-UHFFFAOYSA-DTXSID70906388
Database identifiers
- CAS
1016-78-0- PubChem CID
- 66098
- DTXSID
DTXSID70906388- UNII
- 8C4FG3W6RF
- EC Number
- 213-809-0
- Nikkaji
- J120.265K
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 221
Physicochemical properties
- Melting point
- 85 · 85-87 °C(lit.)
- Boiling point
- 332 °C · 332°C(lit.)
- Density
- 1.1459 · 1.1459 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1869822 · 1869822
- InChI
- InChI=1S/C13H9ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
- InChIKey
- CPLWKNRPZVNELG-UHFFFAOYSA-N
- SMILES
- C(C1=CC=CC(Cl)=C1)(C1=CC=CC=C1)=O
- CAS DataBase Reference
- 1016 · 1016-78-0(CAS DataBase Reference)
- NIST Chemistry Reference
- Methanone, (3-chlorophenyl)phenyl-(1016-78-0)
- EPA Substance Registry System
- 3 · 3-Chlorobenzophenone (1016-78-0)
- UNSPSC Code
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2914 79 00
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37/39-36/37/39-22-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H320-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P303+P361+P353-P403+P235
Chemistry & industry
Applications
Uses3-Chlorobenzophenone is a reagent in the preparation of pharmaceuticals such as antitumor kinesin spindle protein inhibitors.
Upstream & downstream products
Downstream products
Related reactions
8 records
Compound notes
Loading…