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10527-16-9 molecular structure
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10-chloroanthracene-9-carbaldehyde

ChemBase ID: 86207
Molecular Formular: C15H9ClO
Molecular Mass: 240.68436
Monoisotopic Mass: 240.03419259
SMILES and InChIs

SMILES:
Clc1c2c(c(c3ccccc13)C=O)cccc2
Canonical SMILES:
O=Cc1c2ccccc2c(c2c1cccc2)Cl
InChI:
InChI=1S/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H
InChIKey:
SHYBXXMECBHHFH-UHFFFAOYSA-N

Cite this record

CBID:86207 http://www.chembase.cn/molecule-86207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-chloroanthracene-9-carbaldehyde
IUPAC Traditional name
10-chloroanthracene-9-carbaldehyde
Synonyms
10-chloroanthracene-9-carboxaldehyde
10-Chloro-9-anthraldehyde
10-chloroanthracene-9-carbaldehyde
10-氯-9-蒽甲醛
CAS Number
10527-16-9
EC Number
234-086-8
MDL Number
MFCD00001255
PubChem SID
162073323
24849200
PubChem CID
82703

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 82703 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2687464  LogD (pH = 7.4) 4.2687464 
Log P 4.2687464  Molar Refractivity 70.3472 cm3
Polarizability 29.235607 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
215-218 °C(lit.) expand Show data source
216 - 218°C expand Show data source
Hydrophobicity(logP)
4.679 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
null% expand Show data source
Empirical Formula (Hill Notation)
C15H9ClO expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 152110 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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