Home > Compound List > Compound details
134-85-0 molecular structure
click picture or here to close

(4-chlorophenyl)(phenyl)methanone

ChemBase ID: 78388
Molecular Formular: C13H9ClO
Molecular Mass: 216.66296
Monoisotopic Mass: 216.03419259
SMILES and InChIs

SMILES:
O=C(c1ccc(cc1)Cl)c1ccccc1
Canonical SMILES:
Clc1ccc(cc1)C(=O)c1ccccc1
InChI:
InChI=1S/C13H9ClO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey:
UGVRJVHOJNYEHR-UHFFFAOYSA-N

Cite this record

CBID:78388 http://www.chembase.cn/molecule-78388.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-chlorophenyl)(phenyl)methanone
IUPAC Traditional name
(4-chlorophenyl)(phenyl)methanone
Synonyms
(4-Chlorophenyl)(phenyl)methanone
4-Chlorobenzophenone 97%
p-CHLOROBENZOPHENONE
4-Chlorobenzophenone
4-氯二苯甲酮
CAS Number
134-85-0
EC Number
205-160-7
MDL Number
MFCD00000622
Beilstein Number
512043
PubChem SID
24892495
162043157
PubChem CID
8653

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 23.844728 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
74-76 °C(lit.) expand Show data source
74-77°C expand Show data source
75-77°C expand Show data source
Boiling Point
195-196 °C/17 mmHg(lit.) expand Show data source
330-332°C expand Show data source
332°C expand Show data source
Flash Point
143°C expand Show data source
143°C(289°F) expand Show data source
Storage Warning
Irritant 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
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% 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
Sigma Aldrich - C25007 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle