2'-Chloro-4'-nitroacetophenone
Basic information
- CAS
67818-41-1- Standard SMILES
CC(=O)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
BRFBJVQQCATLSZ-UHFFFAOYSA-N- Molecular formula
- C8H6ClNO3
- Average molar mass
- 199.59 g/mol
- Monoisotopic mass
- 199.0036207
Names & identifiers
- Preferred name
- 2'-Chloro-4'-nitroacetophenone
- IUPAC
- 1-(2-chloro-4-nitrophenyl)ethanone
- English name
- 1-(2-Chloro-4-nitrophenyl)ethan-1-one
- Molecular formula
- C8H6ClNO3
- Molecular weight
- 199.59
Names & synonyms
2'-Chloro-4'-nitroacetophenoneRefChem:439604834-845-91-(2-chloro-4-nitrophenyl)ethanone67818-41-11-(2-chloro-4-nitrophenyl)ethan-1-oneMFCD00017340Maybridge1_005236NSC2316053-chloro-4-acetyl-nitrobenzeneHMS556F22DTXSID90310766
Show more names
NSC 2316051-(2-CHLORO-4-NITROPHENYL)ETHAN-1-ONE ISO 9001：2015 REACH
CS-W021200NSC-231605AC-28685DS-18172C3299Ethanone, 1-(2-chloro-4-nitrophenyl)-FT-0690608SCHEMBL480106
Database identifiers
- CAS
67818-41-1- PubChem CID
- 314302
- DTXSID
DTXSID90310766- EC Number
- 834-845-9
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 43 to · 43.0 to 47.0 °C
- Boiling point
- 270.9 · 270.9±20.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2914790090 · 2914790090
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses1-(2-Chloro-4-nitrophenyl)ethanone is used in the preparation of Propiconazole (P770100) as haptens in manufacture of antibodies with hybridomas for immunoassay.
Upstream & downstream products
Upstream raw materials
Related reactions
6 records
Compound notes
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