3'-Aminoacetophenone

HCID 7417CAS 99-03-6
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)c1cccc(N)c1
InChIKey
CKQHAYFOPRIUOM-UHFFFAOYSA-N
Molecular formula
C8H9NO
Average molar mass
135.16 g/mol
Monoisotopic mass
135.06841391

Overview

3'-Aminoacetophenone is an aromatic ketone.

Names & identifiers

Preferred name
3'-Aminoacetophenone
IUPAC
1-(3-aminophenyl)ethanone
English name
3-Aminoacetophenone
Molecular formula
C8H9NO
Molecular weight
135.16

Names & synonyms

3'-Aminoacetophenone1-(3-Aminophenyl)ethanone99-03-6m-Aminoacetophenone3-AMINOACETOPHENONEEthanone, 1-(3-aminophenyl)-H366ULD45Xmeta-aminoacetophenoneNSC-7637DTXSID0021830RefChem:90303DTXCID601830
Show more names
95.2aminoacetophenonem-amino-acetophenon3’-amino-acetophenon
202-722-33-Acetylanilinem-Acetylaniline1-(3-aminophenyl)ethan-1-onem-Aminoacetylbenzene3-AminoacetofenonAcetophenone, 3'-amino-Acetophenone, m-amino-

Database identifiers

CAS
99-03-6
PubChem CID
7417
DTXSID
DTXSID0021830
ChEMBL
CHEMBL3408644
ChEBI
CHEBI:182866
UNII
H366ULD45X
EC Number
202-722-3
Nikkaji
J3.226C

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
10

Experimental & physicochemical properties

Chemical ClassesIndustrial compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
94 · 94-98 °C(lit.)
Boiling point
289 · 289-290 °C(lit.)
Density
1.1031 · 1.1031 (rough estimate)
vapor pressure
1.319 Pa · 1.319Pa at 25℃
refractive index
1.57 · 1.5700 (estimate)
Flash point
289 · 289-291°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Cease Manufacture Update: 09-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17591

3'-Aminoacetophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
AM5800000
hs_code
29223900
risk_code
22-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(3-aminophenyl)-: ACTIVE
Applications · 3 items

Uses3'-Aminoacetophenone has potential anti-bacterial properties in addition to being used in the synthesis of selective antagonists at human A2B adenosine receptors. As well, it is used in the synthesis of HIV-1 Integrase Inhibitors.

Uses3′-Aminoacetophenone (3-Acetylaniline) was used as reagent during the asymmetric total synthesis of pactamycin. It was used as starting reagent during the synthesis of curcumin mimics with substituted sulfonyl group.

General Description3′-Aminoacetophenone acts as bifunctional coupling reagent during the synthesis of pyrimidines.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
南京科朗科技有限公司025-58748998 18951874644 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: 3'-Aminoacetophenone is an aromatic ketone.

Related reactions

91 records
New reaction record

Linked notes

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