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7623-11-2 molecular structure
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2-chlorobutanoyl chloride

ChemBase ID: 302233
Molecular Formular: C4H6Cl2O
Molecular Mass: 140.99584
Monoisotopic Mass: 139.97957017
SMILES and InChIs

SMILES:
CCC(C(=O)Cl)Cl
Canonical SMILES:
CCC(C(=O)Cl)Cl
InChI:
InChI=1S/C4H6Cl2O/c1-2-3(5)4(6)7/h3H,2H2,1H3
InChIKey:
KVQJVAOMYWTLEO-UHFFFAOYSA-N

Cite this record

CBID:302233 http://www.chembase.cn/molecule-302233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chlorobutanoyl chloride
IUPAC Traditional name
2-chlorobutanoyl chloride
Synonyms
2-Chlorobutyryl chloride
2-氯丁酰氯
CAS Number
7623-11-2
EC Number
000-000-0
MDL Number
MFCD00041409
Beilstein Number
741947

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L11207 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.806047  H Acceptors
H Donor LogD (pH = 5.5) 1.9386144 
LogD (pH = 7.4) 1.9386144  Log P 1.9386144 
Molar Refractivity 30.2733 cm3 Polarizability 11.997708 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)
Boiling Point
138-140°C expand Show data source
Density
1.236 expand Show data source
Refractive Index
1.4510 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3265 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
tech. 85% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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