2-Bromo-1-(3-nitrophenyl)ethan-1-one

HCID 75213
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Basic information

CAS
2227-64-7
Standard SMILES
O=C(CBr)c1cccc([N+](=O)[O-])c1
InChIKey
GZHPNIQBPGUSSX-UHFFFAOYSA-N
Molecular formula
C8H6BrNO3
Average molar mass
244.04 g/mol
Monoisotopic mass
242.95310515

Names & identifiers

Preferred name
2-Bromo-1-(3-nitrophenyl)ethan-1-one
IUPAC
2-bromo-1-(3-nitrophenyl)ethanone
English name
3-Nitrophenacylbromide
Molecular formula
C8H6BrNO3
Molecular weight
244.04

Names & synonyms

2227-64-73-Nitrophenacyl bromide2-Bromo-1-(3-nitrophenyl)ethan-1-oneEINECS 218-764-0DTXSID00176815NSC 69855RefChem:465932DTXCID6099306218-764-02-Bromo-3'-nitroacetophenone2-Bromo-1-(3-nitrophenyl)ethanone3-Nitrophenacylbromide
Show more names
2-BroMo-3&priMeAKOS BBS-00003963Alpha-Bromo-3'-nitroacetophenone3-NitrophenacylbromidLABOTEST-BB LT002331903'-NITROPHENACYL BROMIDEa-Bromo-3itroacetophenone
Ethanone, 2-bromo-1-(3-nitrophenyl)-Acetophenone, 2-bromo-3'-nitro-MFCD000245122-Bromo-1-(3-nitro-phenyl)-ethanonem-Nitrophenacyl bromide.alpha.-Bromo-3-nitroacetophenone.alpha.-Bromo-m-nitroacetophenone.omega.-Bromo-m-nitroacetophenone

Database identifiers

CAS
2227-64-7
PubChem CID
75213
DTXSID
DTXSID00176815
EC Number
218-764-0
Nikkaji
J60.316C

Properties

Computed structural properties

XLogP
2.2
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
90 · 90-96 °C(lit.)
Boiling point
288.6 · 288.6±15.0 °C(Predicted)
Density
1.8033 · 1.8033 (rough estimate)
refractive index
1.609 · 1.6090 (estimate)
storage temp.
Inert atmosphere,Room Temperature
solubility
Soluble in methanol.

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29147000
risk_code
34
Signal word
Danger

Chemistry & industry

Applications

Uses2-Bromo-3′-nitroacetophenone may be used in the preparation of 2-bromo-3′-nitroacetophenone. It may be used in the preparation of 2-hydroxy-ethyl-1-[(3-nitro-phenyl)-2-oxoethyl]-piperidinium bromide.

General DescriptionDebromination of 2-bromo-3′-nitroacetophenone in various solvents has been reported.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

54 records
New reaction record

Compound notes

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