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5162-03-8 molecular structure
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(2-chlorophenyl)(phenyl)methanone

ChemBase ID: 74306
Molecular Formular: C13H9ClO
Molecular Mass: 216.66296
Monoisotopic Mass: 216.03419259
SMILES and InChIs

SMILES:
Clc1c(cccc1)C(=O)c1ccccc1
Canonical SMILES:
Clc1ccccc1C(=O)c1ccccc1
InChI:
InChI=1S/C13H9ClO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H
InChIKey:
VMHYWKBKHMYRNF-UHFFFAOYSA-N

Cite this record

CBID:74306 http://www.chembase.cn/molecule-74306.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chlorophenyl)(phenyl)methanone
IUPAC Traditional name
(2-chlorophenyl)(phenyl)methanone
Synonyms
2-Benzoylphenyl Chloride
2-CBP
2-Chlorophenyl Phenyl Ketone
NSC 62529
o-Chlorobenzophenone
2-Chlorobenzophenone
2-Chlorobenzophenone
(2-Chlorophenyl)(phenyl)methanone
2-Chlorobenzophenone 99+%
(2-Chlorophenyl)(phenyl)methanone
2-氯二苯甲酮
2-氯苯甲酮
CAS Number
5162-03-8
EC Number
225-936-9
MDL Number
MFCD00000558
Beilstein Number
1869594
PubChem SID
24851648
162039225
PubChem CID
78838

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.0366435  LogD (pH = 7.4) 4.0366435 
Log P 4.0366435  Molar Refractivity 61.4383 cm3
Polarizability 23.857431 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
44-47 °C(lit.) expand Show data source
44-47°C expand Show data source
45-47°C expand Show data source
Boiling Point
180°C/15mm expand Show data source
330 °C(lit.) expand Show data source
330°C expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
>113 °C expand Show data source
>235.4 °F expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
PC4945633 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
95+% expand Show data source
99+% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClC6H4COC6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 194387 external link
Packaging
25 g in poly bottle
Toronto Research Chemicals - C364575 external link
2-Chlorobenzophenone is a metabolite of Clofedanol (C586920). Chlorobenzophenone is also used as a catalyst in the photocrosslinking of polyethylenes.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Qu, B. et al.: J. Appl. Polym. Sci., 48, 701 (1993)
  • • Eckhardt, G. et al.: J. Clin. Chem. Clin. Biochem., 15, 687 (1993)
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PATENTS

PATENTS

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INTERNET

INTERNET

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