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38444-77-8 molecular structure
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1,3-dichloro-2-(4-chlorophenyl)benzene

ChemBase ID: 156377
Molecular Formular: C12H7Cl3
Molecular Mass: 257.54298
Monoisotopic Mass: 255.96133326
SMILES and InChIs

SMILES:
c1cc(c(c(c1)Cl)c1ccc(cc1)Cl)Cl
Canonical SMILES:
Clc1cccc(c1c1ccc(cc1)Cl)Cl
InChI:
InChI=1S/C12H7Cl3/c13-9-6-4-8(5-7-9)12-10(14)2-1-3-11(12)15/h1-7H
InChIKey:
IHIDFKLAWYPTKB-UHFFFAOYSA-N

Cite this record

CBID:156377 http://www.chembase.cn/molecule-156377.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dichloro-2-(4-chlorophenyl)benzene
IUPAC Traditional name
2,4',6-trichlorobiphenyl
Synonyms
2,4′,6-PCB
2,4′,6-Trichlorobiphenyl
PCB No 32
2,4′,6-三氯联苯
PCB 32
CAS Number
38444-77-8
EC Number
215-648-1
MDL Number
MFCD00661123
PubChem SID
162250515
PubChem CID
38031

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
34158 external link Add to cart Please log in.
Data Source Data ID
PubChem 38031 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.4326053  LogD (pH = 7.4) 5.4326053 
Log P 5.4326053  Molar Refractivity 65.6086 cm3
Polarizability 26.876373 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
3432 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
33-50/53 expand Show data source
Safety Statements
35-60-61 expand Show data source
GHS Pictograms
GHS08 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H373-H410 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3432 9/PG 2 expand Show data source
Grade
analytical standard, for environmental analysis expand Show data source
Empirical Formula (Hill Notation)
C12H7Cl3 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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