Acetophenonoxime

HCID 69185
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Basic information

CAS
613-91-2
Standard SMILES
CC(=NO)c1ccccc1
InChIKey
JHNRZXQVBKRYKN-UHFFFAOYSA-N
Molecular formula
C8H9NO
Average molar mass
135.16 g/mol
Monoisotopic mass
135.06841391

Names & identifiers

Preferred name
Acetophenonoxime
IUPAC
N-(1-phenylethylidene)hydroxylamine
English name
Acetophenone oxime
Molecular formula
C8H9NO
Molecular weight
135.16

Names & synonyms

613-91-2Ethanone, 1-phenyl-, oximeMethyl phenyl ketoximeacetophenonoximeDTXSID7060627RefChem:1075999DTXCID0043008Methyl phenyl ketone oximeN-(1-phenylethylidene)hydroxylamine1-Phenylethanone oxime50314-86-8Acetophenone (E)-oxime
Show more names
Acetophenone oxime 95%ACETOPHENONE OXIME FOR SYNTHESISHYPNONE OXINIEACETOPHENONE OXIMEACETYLBENZENE OXIMEbenzenethyloneoximemethylphenylketoxime4-ACETOPHENONE OXIMEAcetophenoneOxime>Acetophenoneoxime,98%
(1E)-1-Phenylethanone oxime #acetophenon-oximacetophenone-oximemethylphenyl nitronephenylethanone oxime1-Phenyl-ethanone oximeSCHEMBL45278SCHEMBL696366

Database identifiers

CAS
613-91-2
PubChem CID
69185
DTXSID
DTXSID7060627
EC Number
210-360-2

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
32.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Melting point
55 · 55-60 °C (lit.)
Boiling point
118 · 118-120 °C/20 mmHg (lit.)
Density
1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
refractive index
1.5302 · 1.5302 (rough estimate)
Flash point
118 · 118-120°C/20mm
storage temp.
-20 °C · -20°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
rtecs
AM9654000
ridadr
UN 2811 6.1/PG 3
hs_code
29280090

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-phenyl-, oxime: INACTIVE
Applications · 2 items

DescriptionAcetophenone oxime is a solid but slightly soluble substance. Acetophenone oxime is incompatible with strong oxidising agents, moisture, acids, and metal and alkali compounds. Acetophenone oxime on decomposition releases irritating and toxic fumes and gases. There is no published data about the hazardous polymerisation of acetophenone oxime.

Uses1-Phenylethanone Oxime is a useful reagent for organic synthesis

Upstream & downstream products

Suppliers96 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Related reactions

32 records
New reaction record

Compound notes

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