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Home Halogens 1,2,4-Tribromobenzene

1,2,4-Tribromobenzene

CAS No.:
615-54-3
Catalog Number:
AG003DB6
Molecular Formula:
C6H3Br3
Molecular Weight:
314.8000
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$32
- +
25g
97%
In Stock USA
United States
$94
- +
100g
97%
In Stock USA
United States
$275
- +
500g
97%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG003DB6
Chemical Name:
1,2,4-Tribromobenzene
CAS Number:
615-54-3
Molecular Formula:
C6H3Br3
Molecular Weight:
314.8000
MDL Number:
MFCD00000062
IUPAC Name:
1,2,4-tribromobenzene
InChI:
InChI=1S/C6H3Br3/c7-4-1-2-5(8)6(9)3-4/h1-3H
InChI Key:
FWAJPSIPOULHHH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)Br
EC Number:
210-433-9
UNII:
EOE1KFC260
NSC Number:
62440
Properties
Complexity:
94.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.776g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.802g/mol
Monoisotopic Mass:
311.778g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Growth of Dehalococcoides mccartyi strain CBDB1 by reductive dehalogenation of brominated benzenes to benzene. Environmental science & technology 20120821
Subchronic hepatotoxicity evaluation of 1,2,4-tribromobenzene in Sprague-Dawley rats. International journal of toxicology 20120601
Calculation of the A term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation. The Journal of chemical physics 20040615
Hepatotoxicity of brominated benzenes: relationship between chemical structure and hepatotoxic effects in acute intoxication of mice. Archives of toxicology 19980101
Properties