3,4-Dibromotoluene

CAT: 0926-FD64655-01Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD64655-01Size:50 g

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CAS Number

60956-23-2

Synonyms

1,2-Dibromo-4-methylbenzene

MDL Number

MFCD00079744

Smiles

CC1=CC (=C (C=C1) Br) Br

Molecular Formula

C7H6Br2

Molecular Weight

249.93 g/mol

Controlled

Chemical Information

1,2-Dibromo-4-methylbenzene

CAS Number	60956-23-2
PubChem CID	34679
IUPAC Name	1,2-dibromo-4-methylbenzene
Molecular Formula	C7H6Br2
Molecular Weight	249.93
XLogP	3.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	92

SMILES

CC1=CC(=C(C=C1)Br)Br

InChI

InChI=1S/C7H6Br2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

InChIKey

LDCPXNOCWDGYIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60956-23-2

CID: 34679

Formula: C7H6Br2

MW: 249.93

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.93
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	249.88158
Monoisotopic Mass	247.88363
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FC66141-01	4-Chloro-3,5-dibromotoluene
FD76456-01	3,5-Dibromotoluene
FD30694-01	2,6-Dibromotoluene
PAA04709	3,3,4,4-Tetrachloroazobenzene
FT180033-01	3,3',4,4'-Tetrachlorobiphenyl
FT146374	3,3'4,4'-Tetrabromobiphenyl
FT168976-01	3,3',4,4'-Tetrachlorocarbanilide
WAA23247	3,3,4,4-Tetrachloroazoxybenzene
FD69918-01	3,3'-Dichloro-4,4'-dihydroxystilbene
FD132685-01	3,3'-Dinitrobiphenyl-4,4'-diamine

Catalog	Name
abx188320-01	3,4-Dibromotoluene
sc-336405	4-Chloro-3,5-dibromotoluene
sc-486039	2,4-Dibromotoluene
427294-01	3,5-Dibromotoluene
sc-239169	α, α-Dibromotoluene
sc-321488	2-Amino-4-chloro-3,5-dibromotoluene
OR1096264	4-Chloro-2,6-dibromotoluene
sc-336400	4-Chloro-2,5-dibromotoluene
sc-323457	5-Chloro-2,3-dibromotoluene
sc-321651	2-Chloro-3,5-dibromotoluene