1-[4-(4-Nitrophenoxy)phenyl]ethanone
Basic information
- CAS
75919-92-5- Standard SMILES
CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
IRWXEFXORSDYQA-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 1-[4-(4-Nitrophenoxy)phenyl]ethanone
- IUPAC
- 1-[4-(4-nitrophenoxy)phenyl]ethanone
- English name
- 4-Acetyl-4'-nitrodiphenyl ether
- Molecular formula
- C14H11NO4
- Molecular weight
- 257.24
Names & synonyms
75919-92-51-[4-(4-nitrophenoxy)phenyl]ethanone4-ACETYL-4'-NITRODIPHENYL ETHER1-(4-(4-NITROPHENOXY)PHENYL)ETHANONE1-[4-(4-nitrophenoxy)phenyl]ethan-1-oneMFCD000529561-(4-(4-Nitrophenoxy)phenyl)ethan-1-one1-[4-(4-Nitrophenoxy)phenyl]-ethanone1-acetyl-4-(4-nitrophenoxy)benzene5228-16-04-Acetyl-4-nitrodiphenyl etherNSC43064
Show more names
BUTTPARK 48\12-60SALOR-INT L499390-1EA(4-Nitrophenoxy)acetophenone4-(4-NITROPHENOXY)ACETOPHENONE4'-(p-Nitrophenoxy)acetophenone4-Acetyl-4'-nitrodiphenyl ether,97%Ethanone, 1-[4-(4-nitrophenoxy)phenyl]-
Maybridge1_003157CBMicro_014450Cambridge id 5228160SCHEMBL408254-(4-acetylphenoxy)nitrobenzeneHMS550H114'-(4-Nitrophenoxy)acetophenoneIRWXEFXORSDYQA-UHFFFAOYSA-N
Database identifiers
- CAS
75919-92-5- PubChem CID
- 238604
- DTXSID
DTXSID701382735- EC Number
- 688-744-8
- Nikkaji
- J35.891F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Melting point
- 79 · 79-81°C
- Boiling point
- 398 · 398.0±22.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- BRN
- 2135124 · 2135124
- CAS DataBase Reference
- 75919 · 75919-92-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H400-H317-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H318-H400-H317-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
23 records
Compound notes
Loading…