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17135-78-3 molecular structure
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2-chloroanthracene

ChemBase ID: 150100
Molecular Formular: C14H9Cl
Molecular Mass: 212.67426
Monoisotopic Mass: 212.03927797
SMILES and InChIs

SMILES:
c1ccc2cc3cc(ccc3cc2c1)Cl
Canonical SMILES:
Clc1ccc2c(c1)cc1c(c2)cccc1
InChI:
InChI=1S/C14H9Cl/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKey:
OWFINXQLBMJDJQ-UHFFFAOYSA-N

Cite this record

CBID:150100 http://www.chembase.cn/molecule-150100.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloroanthracene
IUPAC Traditional name
2-chloroanthracene
Synonyms
2-Chloroanthracene
2-chloroanthracene
2-氯蒽
CAS Number
17135-78-3
MDL Number
MFCD00003580
PubChem SID
162244262
24851285
PubChem CID
28308

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 28308 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.556244  LogD (pH = 7.4) 4.556244 
Log P 4.556244  Molar Refractivity 63.7632 cm3
Polarizability 27.406385 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
221-223 °C(lit.) 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
95% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C14H9Cl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 187720 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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