2-Bromo-4-chlorophenylacetylene

CAT: 0127-OR400709-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR400709-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1350535-10-2

MDL Number

MFCD26853877

Purity

=95%

Smiles

Clc1ccc(C#C)c(Br)c1

Chemical Information

2-Bromo-4-chloro-1-ethynylbenzene

CAS Number	1350535-10-2
PubChem CID	99628995
IUPAC Name	2-bromo-4-chloro-1-ethynylbenzene
Molecular Formula	C8H4BrCl
Molecular Weight	215.47
XLogP	3.5
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	158

SMILES

C#CC1=C(C=C(C=C1)Cl)Br

InChI

InChI=1S/C8H4BrCl/c1-2-6-3-4-7(10)5-8(6)9/h1,3-5H

InChIKey

ZNYGHEOMBPEQEC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1350535-10-2

CID: 99628995

Formula: C8H4BrCl

MW: 215.47

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.47
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	213.91849
Monoisotopic Mass	213.91849
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
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
OR400945-01	4-Bromo-3-chlorophenylacetylene
OR400938	2-Bromo-3-chlorophenylacetylene
OR48117-01	2-Bromo-6-chlorophenylacetylene
OR7651T-01	4-Chlorophenylacetylene
OR7551T-01	2-Chlorophenylacetylene
OR6594-01	3-Chlorophenylacetylene
OR307054	2-Bromo-3'-bromo-4'-methoxyacetophenone
OR4800	4-Bromo-2',4'-dichlorochalcone
OR1096275	2-Bromo-4-butylaniline
OR1095807	4-Bromo-2-ethoxybenzaldehyde

Catalog	Name
TRC-C376500-1G	4-Chlorophenylacetylene
FDA69065-01	4-Amino-2-chlorophenylacetylene
C5029-38	2-Chlorophenylacetylene
FC67729-01	3'-Chlorophenylacetylene
MBS6026820-01	4-Bromo-2-methylpyridine (4-Bromo-2-picoline)
B2860-77	4-Bromo-2-methylpyridine (4-Bromo-2-picoline) discontinued
JH253058	4-bromo-1- (4-bromo-2-methylphenyl) -2-methylbenzene
415736-01	2-Bromo-2,4,4-trimethylpentane
sc-495292	4-bromo-2-{[ (2-bromo-4-methylphenyl) amino]methyl}phenol
sc-491991	4-bromo-2-{[ (4-bromo-2-fluorophenyl) amino]methyl}phenol