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7071-83-2 molecular structure
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9-oxo-9H-fluorene-4-carbonyl chloride

ChemBase ID: 140195
Molecular Formular: C14H7ClO2
Molecular Mass: 242.65718
Monoisotopic Mass: 242.01345714
SMILES and InChIs

SMILES:
c1ccc2c(c1)c1c(cccc1C(=O)Cl)C2=O
Canonical SMILES:
ClC(=O)c1cccc2c1c1ccccc1C2=O
InChI:
InChI=1S/C14H7ClO2/c15-14(17)11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)16/h1-7H
InChIKey:
XKCGWCQMEUASJF-UHFFFAOYSA-N

Cite this record

CBID:140195 http://www.chembase.cn/molecule-140195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-oxo-9H-fluorene-4-carbonyl chloride
IUPAC Traditional name
9-oxofluorene-4-carbonyl chloride
Synonyms
9-Oxo-4-fluorenecarbonyl chloride
9-Fluorenone-4-carbonyl chloride
9-氧代-4-芴甲酰氯
9-芴酮-4-甲酰氯
CAS Number
7071-83-2
MDL Number
MFCD00009931
PubChem SID
24855005
162234439
PubChem CID
610142

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
249580 external link Add to cart Please log in.
Data Source Data ID
PubChem 610142 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2974908  LogD (pH = 7.4) 3.2974908 
Log P 3.2974908  Molar Refractivity 66.8264 cm3
Polarizability 26.351688 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
139-141 °C(lit.) expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
3261 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34-40 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
RID/ADR
UN 3261 8/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
Impurities
<2% dichloromethane expand Show data source
Empirical Formula (Hill Notation)
C14H7ClO2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 249580 external link
Packaging
1, 10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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