Methanone, (3-aminophenyl)phenyl-

HCID 17817
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Basic information

CAS
2835-78-1
Standard SMILES
Nc1cccc(C(=O)c2ccccc2)c1
InChIKey
FUADXEJBHCKVBN-UHFFFAOYSA-N
Molecular formula
C13H11NO
Average molar mass
197.23 g/mol
Monoisotopic mass
197.08406397

Overview

(3-Aminophenyl)(phenyl)methanone is a member of benzophenones.

Names & identifiers

Preferred name
Methanone, (3-aminophenyl)phenyl-
IUPAC
(3-aminophenyl)-phenylmethanone
English name
3-Aminobenzophenone
Molecular formula
C13H11NO
Molecular weight
197.23

Names & synonyms

Methanone, (3-aminophenyl)phenyl-RefChem:8116473-Aminobenzophenone2835-78-1(3-Aminophenyl)(phenyl)methanone3-Benzoylaniline(3-aminophenyl)-phenylmethanoneBENZOPHENONE, 3-AMINO-m-AminobenzophenoneMFCD00017103(3-AMINOPHENYL)PHENYLMETHANONE3-Amino-benzophenon
Show more names
3-Aminobenzophenone >3-Aminobenzophenone,98%3-Aminobenzophenone, 97+%
3-amino-benzophenoneNSC86511NCIOpen2_001023SCHEMBL147608CHEMBL5185745BBL034235BDBM50591350NSC-86511

Database identifiers

CAS
2835-78-1
PubChem CID
17817
DTXSID
DTXSID60182593
ChEMBL
CHEMBL5185745
ChEBI
CHEBI:194607
EC Number
220-614-4
Nikkaji
J55.472C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
43.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
85 · 85-87°C
Boiling point
381 · 381.0±25.0 °C(Predicted)
Density
1.161 · 1.161±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
3.39 · 3.39±0.10(Predicted)
form
Powder

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationMethanone, (3-aminophenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
DJ0170000
hs_code
29223990
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses3-Aminobenzophenone has been used in the synthesis of racemic benzophenone ureas, chiral photoaffinity labeling probes.

General Description3-Aminobenzophenone forms cyclodextrin (α and β) based nanostructures through the supramolecular self assembly.

Suppliers55 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]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: (3-Aminophenyl)(phenyl)methanone is a member of benzophenones.

Related reactions

26 records
New reaction record

Compound notes

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