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2-[4-(Bromomethyl)phenyl]propionic Acid - 97%, high purity , CAS No.111128-12-2

COA

Grade & Purity:

≥97%

Cas Number: 111128-12-2
Molecular Weight: 243.1
EC Number: 627-148-4
MDL number: MFCD02093445
PubChem CID: 2733978
PubChem SID: 488192461

In stock

Item Number

B120755

Grouped product items
SKU	Size	Availability	Price
B120755-5g	5g	5	$39.90
B120755-25g	25g	4	$99.90
B120755-100g	100g	4	$299.90
B120755-500g	500g	2	$999.90

View related series

carboxylic acid (2098) Non heterocyclic block (8163)

Basic Description

Synonyms	4-(Bromomethyl)hydratropic Acid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Phenylpropanoic acids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Phenylpropanoic acids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanoic acids
Alternative Parents	Monocyclic monoterpenoids Aromatic monoterpenoids Benzyl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzyl halide - Benzyl bromide - Monocyclic benzene moiety - Benzenoid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Alkyl bromide - Organic oxide - Organic oxygen compound - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
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	488192461
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192461
IUPAC Name	2-[4-(bromomethyl)phenyl]propanoic acid
INCHI	InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey	QQXBRVQJMKBAOZ-UHFFFAOYSA-N
Smiles	CC(C1=CC=C(C=C1)CBr)C(=O)O
Isomeric SMILES	CC(C1=CC=C(C=C1)CBr)C(=O)O
WGK Germany	3
Alternate CAS	111128-12-2
Molecular Weight	243.1
Reaxy-Rn	11160947
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11160947&ln=

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

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

Analytical Chart:

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18 results found

Lot Number	Certificate Type	Date	Item
C2313405	Certificate of Analysis	Dec 10, 2024	B120755
C2313400	Certificate of Analysis	Dec 10, 2024	B120755
C2313399	Certificate of Analysis	Dec 10, 2024	B120755
K2222307	Certificate of Analysis	Aug 23, 2024	B120755
K2222308	Certificate of Analysis	Aug 23, 2024	B120755
K2222313	Certificate of Analysis	Aug 23, 2024	B120755
K2222278	Certificate of Analysis	Aug 23, 2024	B120755
F2427135	Certificate of Analysis	Jun 06, 2024	B120755
F2424147	Certificate of Analysis	Jun 06, 2024	B120755
F2427146	Certificate of Analysis	Jun 06, 2024	B120755
F2427151	Certificate of Analysis	Jun 06, 2024	B120755
A2411209	Certificate of Analysis	Nov 23, 2023	B120755
A2411225	Certificate of Analysis	Nov 23, 2023	B120755
A2411226	Certificate of Analysis	Nov 23, 2023	B120755
A2411227	Certificate of Analysis	Nov 23, 2023	B120755
A2411228	Certificate of Analysis	Nov 23, 2023	B120755
C1314079	Certificate of Analysis	Aug 05, 2022	B120755
K2222279	Certificate of Analysis	Jul 21, 2022	B120755

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Chemical and Physical Properties

Melt Point(°C)	125°C
Molecular Weight	243.100 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	241.994 Da
Monoisotopic Mass	241.994 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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