Alpha-Bromopropiophenone

CAT: 0572-TRC-B686690-5GSize: 5 gDry Ice: NoHazardous: Yes

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CAT#:0572-TRC-B686690-5GSize:5 g

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

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CAS Number

2114-00-3

Synonyms

2-Bromo-1-phenyl-1-propanone; 1-Benzoyl-1-bromoethane; 1-Bromoethyl Phenyl Ketone; 2-Bromo-1-phenyl-1-propanone; dl-alpha-Bromopropiophenone; NSC 89689;

Hazard Statement

Causes skin irritation; UN number: UN2810; Packing Group: III

Purity

>95% (HPLC)

Smiles

CC(Br)C(=O)c1ccccc1

Molecular Formula

C9H9BrO

Molecular Weight

213.07

Shipping Conditions

Ice Packs

Storage Conditions

-20°C

Chemical Information

2-Bromopropiophenone

CAS Number	2114-00-3
PubChem CID	16452
IUPAC Name	2-bromo-1-phenylpropan-1-one
Molecular Formula	C9H9BrO
Molecular Weight	213.07
XLogP	2.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

CC(C(=O)C1=CC=CC=C1)Br

InChI

InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

WPDWOCRJBPXJFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2114-00-3

CID: 16452

Formula: C9H9BrO

MW: 213.07

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	213.07
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	211.98368
Monoisotopic Mass	211.98368
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-B687240-25G	3'-Bromopropiophenone
TRC-B687240-10G	3'-Bromopropiophenone
TRC-B687280-10G	2'-Bromopropiophenone
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TRC-D470810-1G	3-(Dimethylamino)-4'-bromopropiophenone
B285590	4'-(Benzyloxy)-2-bromopropiophenone
TRC-C365035-100MG	3’-Chloro-2-bromopropiophenone

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Catalog	Name
MBS6093820-01	alpha-Bromopropiophenone
MBS6014211-01	alpha-Bromopropiophenone-d5
004975	α-Bromopropiophenone
B24350-01	A-Bromopropiophenone
433912-01	4'-Bromopropiophenone
421055-01	2'-Bromopropiophenone
263783-01	3-Bromopropiophenone
427669-01	3'-Bromopropiophenone
sc-237954A	2-Bromopropiophenone
004976	α-Bromopropiophenone-d5

Alpha-Bromopropiophenone

Chemical Information

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