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576-55-6,MFCD00002148
Catalog No.:AA003IBH
576-55-6 | 3,4,5,6-Tetrabromo-o-cresol
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Technical Information
Catalog Number:
AA003IBH
Chemical Name:
3,4,5,6-Tetrabromo-o-cresol
CAS Number:
576-55-6
Molecular Formula:
C7H4Br4O
Molecular Weight:
423.7221
MDL Number:
MFCD00002148
IUPAC Name:
2,3,4,5-tetrabromo-6-methylphenol
InChI:
InChI=1S/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3
InChI Key:
GGIDUULRWQOXLR-UHFFFAOYSA-N
SMILES:
Oc1c(C)c(Br)c(c(c1Br)Br)Br
EC Number:
209-403-8
UNII:
76L0Y0P4RG
NSC Number:
4866
Properties
Computed Properties
 
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.695g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
423.724g/mol
Monoisotopic Mass:
419.7g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

Synonyms
 
tetrabromo-o-cresol 
3,4,5,6-Tetrabromo-o-cresol 
Phenol, 2,3,4,5-tetrabromo-6-methyl- 
o-Cresol, tetrabromo- 
UNII-76L0Y0P4RG 
2-Methyl-3,4,5,6-tetrabromophenol 
3,4,5,6-Tetrabromo-2-methylphenol 
NSC 4866 
EINECS 209-403-8 
BRN 2264097 
AI3-01565 
76L0Y0P4RG 
2,3,4,5-Tetrabromo-6-methylphenol 
Tetrabrom-o-kresol 
ACMC-209lzm 
3,5,6-Tetrabromo-o-cresol 
3-06-00-01272 (Beilstein Handbook Reference) 
SCHEMBL574255 
o-Cresol,4,5,6-tetrabromo- 
AC1L1X51 
o-Cresol, tetrabromo- (8CI) 
DTXSID6040163 
CTK8B1941 
576-55-6 
GGIDUULRWQOXLR-UHFFFAOYSA- 
NSC4866 
GGIDUULRWQOXLR-UHFFFAOYSA-N 
2-Methyl-3,5,6-tetrabromophenol 
3,5,6-Tetrabromo-2-methylphenol 
WLN: QR BE CE DE EE F1 
ZINC608306 
KS-000017YX 
NSC-4866 
ANW-32768 
TETRABROMO-O-CRESOL 
MFCD00002148 
Phenol,3,4,5-tetrabromo-6-methyl- 
AKOS015912679 
FCH1322648 
MCULE-3180785229 
2,3,4,5-Tetrabromo-6-methylphenol # 
AJ-23703 
CC-12981 
LS-55441 
ZB014612 
Satinasept 
AX8081492 
TC-121513 
FT-0614118 
ST50998279 
C-33373 
I14-47922 
InChI=1/C7H4Br4O/c1-2-3(8)4(9)5(10)6(11)7(2)12/h12H,1H3 
C7H4Br4O 
C7-H4-Br4-O 
CID11336 
Desderman 
T1528 
Remanol 
Deodorant Richter/K 
o-Cresol, 3,4,5,6-tetrabromo- 
Literature

Title: Determination of phenolic flame-retardants in human plasma using solid-phase extraction and gas chromatography-electron-capture mass spectrometry.

Journal: Journal of chromatography. B, Biomedical sciences and applications 20010105

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