Home > Compound List > Compound details
131-09-9 molecular structure
click picture or here to close

2-chloro-9,10-dihydroanthracene-9,10-dione

ChemBase ID: 148779
Molecular Formular: C14H7ClO2
Molecular Mass: 242.65718
Monoisotopic Mass: 242.01345714
SMILES and InChIs

SMILES:
c1ccc2c(c1)C(=O)c1ccc(cc1C2=O)Cl
Canonical SMILES:
Clc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
InChI:
InChI=1S/C14H7ClO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H
InChIKey:
FPKCTSIVDAWGFA-UHFFFAOYSA-N

Cite this record

CBID:148779 http://www.chembase.cn/molecule-148779.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-9,10-dihydroanthracene-9,10-dione
IUPAC Traditional name
2-chloroanthracene-9,10-dione
Synonyms
2-Chloroanthracene-9,10-dione
2-Chloroanthraquinone
2-氯蒽醌
CAS Number
131-09-9
EC Number
205-010-0
MDL Number
MFCD00001227
Beilstein Number
2051842
PubChem SID
162242954
24849604
PubChem CID
8553

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 8553 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5227509  LogD (pH = 7.4) 3.5227509 
Log P 3.5227509  Molar Refractivity 65.9558 cm3
Polarizability 25.170595 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
207-210°C expand Show data source
209-211 °C(lit.) expand Show data source
RTECS
CB6151000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C14H7ClO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 156299 external link
Packaging
1 kg in glass bottle
250 g in poly 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