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97677-81-1 molecular structure
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2-(thiophen-2-yl)benzoyl chloride

ChemBase ID: 54341
Molecular Formular: C11H7ClOS
Molecular Mass: 222.69068
Monoisotopic Mass: 221.99061352
SMILES and InChIs

SMILES:
c1ccc(c(c1)C(=O)Cl)c1cccs1
Canonical SMILES:
ClC(=O)c1ccccc1c1cccs1
InChI:
InChI=1S/C11H7ClOS/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h1-7H
InChIKey:
JVOVWZAGQKKACR-UHFFFAOYSA-N

Cite this record

CBID:54341 http://www.chembase.cn/molecule-54341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiophen-2-yl)benzoyl chloride
IUPAC Traditional name
2-(thiophen-2-yl)benzoyl chloride
Synonyms
2-Thiophen-2-yl-benzoyl chloride
2-[2-(Chlorocarbonyl)phenyl]thiophene
2-(Thien-2-yl)benzoyl chloride 97%
CAS Number
97677-81-1
MDL Number
MFCD06797479
PubChem SID
162059104
PubChem CID
2795557

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2795557 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5885317  LogD (pH = 7.4) 3.5885317 
Log P 3.5885317  Molar Refractivity 59.1988 cm3
Polarizability 23.673933 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive/Harmful/Moisture Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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