3-(Trifluoromethyl)benzophenone

HCID 69766CAS 728-81-4
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccccc1)c1cccc(C(F)(F)F)c1
InChIKey
IOXDAYKKVHAKSX-UHFFFAOYSA-N
Molecular formula
C14H9F3O
Average molar mass
250.21 g/mol
Monoisotopic mass
250.06054957

Names & identifiers

Preferred name
3-(Trifluoromethyl)benzophenone
IUPAC
phenyl-[3-(trifluoromethyl)phenyl]methanone
English name
3-(Trifluoromethyl)benzophenone
Molecular formula
C14H9F3O
Molecular weight
250.22

Names & synonyms

3-(Trifluoromethyl)benzophenone728-81-4EINECS 211-973-8DTXSID50223121RefChem:496378DTXCID50145612211-973-8Phenyl(3-(trifluoromethyl)phenyl)methanonePhenyl[3-(trifluoromethyl)phenyl]methanonephenyl-[3-(trifluoromethyl)phenyl]methanone3-TRIFLUOROMETHYLBENZOPHENONEm-Trifluoromethylbenzophenone
Show more names
3-(Trifluoromethyl)benzophenone98%3-(Trifluoromethyl)benzophenone,99%3-(trifluoromethyl)benzenemethylone3-(TRIFLUOROMETHYL)BENZOPHENONE 99%3-(Trifluoromethyl)benzophenone, 97+%Phenyl[3-(trifluoromethyl)phenyl]methanone, 3-Benzoylbenzotrifluoride
MFCD00000389Methanone, phenyl[3-(trifluoromethyl)phenyl]-m-(Trifluoromethyl)benzophenonephenyl-(3-trifluoromethyl-phenyl)-methanonephenyl 3-(trifluoromethyl)phenyl ketone3-(trifluoromethyl)-benzophenoneGLM8ZD9GJF3-Trifluoromethyl benzophenone

Database identifiers

CAS
728-81-4
PubChem CID
69766
DTXSID
DTXSID50223121
UNII
GLM8ZD9GJF
EC Number
211-973-8
Nikkaji
J150.045G

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

Physicochemical properties

Melting point
52 · 52-53 °C(lit.)
Boiling point
121 · 121-123 °C1.5 mm Hg(lit.)
Density
1.244 · 1.244
Flash point
230 °F · >230 °F
storage temp.
Store at room temperature
Appearance
White to yellow Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

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 44 reports by companies from 4 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
2914790090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Upstream & downstream products

Suppliers37 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

Loading…