2-Chloro-1-(3-nitrophenyl)ethanone

HCID 7437CAS 99-47-8

Basic information

Standard SMILES
O=C(CCl)c1cccc([N+](=O)[O-])c1
InChIKey
LBHUVZXFCGZYDL-UHFFFAOYSA-N
Molecular formula
C8H6ClNO3
Average molar mass
199.59 g/mol
Monoisotopic mass
199.0036207

Names & identifiers

Preferred name
2-Chloro-1-(3-nitrophenyl)ethanone
IUPAC
2-chloro-1-(3-nitrophenyl)ethanone
English name
α-Chloro-3'-nitroacetophenone
Molecular formula
C8H6ClNO3
Molecular weight
199.59

Names & synonyms

2-chloro-1-(3-nitrophenyl)ethanone99-47-8RefChem:1062718Acetophenone, 2-chloro-m-nitro-2-Chloro-m-nitroacetophenoneUSAF MA-8BRN 1958853alpha-Chloro-m-nitro-acetophenone2-Chloro-1-(3-nitrophenyl)ethan-1-one3-07-00-00996 (Beilstein Handbook Reference)SCHEMBL3910668DTXSID10870438
Show more names
α-Chloro-3'-nitroacetophenoneEthanone, 2-chloro-1-(3-nitrophenyl)-
LBHUVZXFCGZYDL-UHFFFAOYSA-Nalpha-chloro-meta -nitroacetophenone.alpha.-Chloro-m-nitro-acetophenone2-CHLORO-3'-NITROACETOPHENONEAKOS002392958

Database identifiers

CAS
99-47-8
PubChem CID
7437
DTXSID
DTXSID10870438
Nikkaji
J55.021C

Properties

Computed structural properties

XLogP
2
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
97 °C · 97 °C
Boiling point
160 °C · 160°C (rough estimate)
Density
1.4125 · 1.4125 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)

Chemistry & industry

Upstream & downstream products

Suppliers2 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
苏州碳壹科技有限公司18606219109;18606219109 · [email protected]

Related reactions

6 records

Linked notes

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