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630-25-1 molecular structure
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1,2-dibromo-1,1,2,2-tetrachloroethane

ChemBase ID: 140082
Molecular Formular: C2Br2Cl4
Molecular Mass: 325.6414
Monoisotopic Mass: 321.71208472
SMILES and InChIs

SMILES:
C(C(Cl)(Cl)Br)(Cl)(Cl)Br
Canonical SMILES:
ClC(C(Br)(Cl)Cl)(Br)Cl
InChI:
InChI=1S/C2Br2Cl4/c3-1(5,6)2(4,7)8
InChIKey:
WJUKOGPNGRUXMG-UHFFFAOYSA-N

Cite this record

CBID:140082 http://www.chembase.cn/molecule-140082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dibromo-1,1,2,2-tetrachloroethane
IUPAC Traditional name
1,2-dibromo-1,1,2,2-tetrachloroethane
Synonyms
1,2-Dibromotetrachloroethane
1,2-Dibromo-1,1,2,2-tetrachloroethane
1,2-二溴四氯乙烷
CAS Number
630-25-1
EC Number
211-136-7
MDL Number
MFCD00000780
Beilstein Number
1699471
PubChem SID
24861203
24848105
162234326
PubChem CID
69426

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6225827  LogD (pH = 7.4) 3.6225827 
Log P 3.6225827  Molar Refractivity 47.495 cm3
Polarizability 18.472002 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
215-220 °C (dec.)(lit.) expand Show data source
ca 220°C dec. expand Show data source
Density
2.71 expand Show data source
2.713 g/mL at 25 °C(lit.) expand Show data source
RTECS
KH9366000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥97.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
BrCCl2CCl2Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 133396 external link
Packaging
25, 100 g in poly bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Source of bromine, for example in reactions of aryllithiums to give the regiospecifically bromo substituted derivatives: Tetrahedron Lett., 36, 881 (1995).
  • • Reagent for the free-radical initiated allylic bromination of alkenes: Chem. Ind. (London), 1954 (1963).
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PATENTS

PATENTS

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INTERNET

INTERNET

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