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3290-06-0 molecular structure
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1,3-dichloro-5-(chloromethyl)benzene

ChemBase ID: 9107
Molecular Formular: C7H5Cl3
Molecular Mass: 195.4736
Monoisotopic Mass: 193.9456832
SMILES and InChIs

SMILES:
c1c(cc(cc1Cl)CCl)Cl
Canonical SMILES:
ClCc1cc(Cl)cc(c1)Cl
InChI:
InChI=1S/C7H5Cl3/c8-4-5-1-6(9)3-7(10)2-5/h1-3H,4H2
InChIKey:
ZFLRKAMKGYNFPH-UHFFFAOYSA-N

Cite this record

CBID:9107 http://www.chembase.cn/molecule-9107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dichloro-5-(chloromethyl)benzene
IUPAC Traditional name
3,5-dichlorobenzyl chloride
Synonyms
3,5-Dichlorobenzyl chloride
1,3-dichloro-5-(chloromethyl)benzene
5-(Chloromethyl)-1,3-dichlorobenzene
3,5-Dichlorobenzyl chloride 98+%
CAS Number
3290-06-0
MDL Number
MFCD00060278
PubChem SID
160972414
PubChem CID
137880

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7685773  LogD (pH = 7.4) 3.7685773 
Log P 3.7685773  Molar Refractivity 45.5345 cm3
Polarizability 17.787603 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
32°C expand Show data source
35-37°C expand Show data source
Storage Warning
Corrosive/Lachrymatory expand Show data source
LACHRYMATOR, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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