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2'-Bromo-4'-fluoroacetanilide - >98.0%, high purity , CAS No.1009-22-9

3 Citations

COA

Grade & Purity:

≥98%

Cas Number: 1009-22-9
Molecular Weight: 232.05
PubChem CID: 688184
PubChem SID: 488191094

In stock

Item Number

B152532

Grouped product items
SKU	Size	Availability	Price
B152532-5g	5g	4	$16.90
B152532-25g	25g	4	$42.90
B152532-100g	100g	2	$152.90

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Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	FT-0611445 \| Maybridge3_000074 \| MFCD00061118 \| n-acetyl-2-bromo-4-fluoroaniline \| AC-15660 \| HMS1431D08 \| AS-63600 \| D88957 \| Acetamide, N-(2-bromo-4-fluorophenyl)- \| SCHEMBL422893 \| EC 600-141-3 \| B2721 \| J-000260 \| A800298 \| JAVSBNOXENOHEI-UHFFFAOYSA-
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Acetanilides
        Level6 Haloacetanilides
        Level7 O-haloacetanilides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Acetanilides - Haloacetanilides
Direct Parent	O-haloacetanilides
Alternative Parents	P-haloacetanilides N-acetylarylamines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-haloacetanilide - P-haloacetanilide - N-acetylarylamine - N-arylamide - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488191094
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191094
IUPAC Name	N-(2-bromo-4-fluorophenyl)acetamide
INCHI	InChI=1S/C8H7BrFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)
InChIKey	JAVSBNOXENOHEI-UHFFFAOYSA-N
Smiles	CC(=O)NC1=C(C=C(C=C1)F)Br
Isomeric SMILES	CC(=O)NC1=C(C=C(C=C1)F)Br
Molecular Weight	232.05
Reaxy-Rn	2803940
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803940&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
D2028126	Certificate of Analysis	Mar 24, 2022	B152532
E2330027	Certificate of Analysis	Mar 24, 2022	B152532
E2330031	Certificate of Analysis	Mar 24, 2022	B152532

Chemical and Physical Properties

Solubility	Soluble in Methanol
Melt Point(°C)	116-119°C
Molecular Weight	232.050 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	230.97 Da
Monoisotopic Mass	230.97 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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