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Product No: BP6314

2-Bromophenylacetic acid, ≥98%

Name: 2-Bromophenylacetic acid
Brand: Chempure

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CAS Number

18698-97-0

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About this item

IUPAC name	2-(2-bromophenyl)acetic acid
canonical smiles	C1=CC=C(C(=C1)CC(=O)O)Br
inchi	InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
inchi key	DWXSYDKEWORWBT-UHFFFAOYSA-N
molecular formula	C8H7BrO2
synonyms	2-Bromophenylacetic acid 18698-97-0 2-(2-bromophenyl)acetic acid o-Bromophenylacetic acid Benzeneacetic acid, 2-bromo-

Computed Properties

Molecular Weight:	215.04 g/mol
XLogP3:	2.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	213.96294 g/mol
Monoisotopic Mass:	213.96294 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	147
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

Related Compounds

Phenylacetic Acid

Gabapentin

4-Hydroxyphenylacetic acid

2-Hydroxyphenylacetic acid

3-Phenylpropionic acid

4-Methylbenzoic acid

Phenoxyacetic acid

4-Chlorobenzoic acid

3-Hydroxyphenylacetic acid

Quinclorac

3-Pyridineacetic acid

2-(2,4,5-Trichlorophenoxy)propionic acid

2-Phenylpropionic acid

2-(1-methyl-1H-imidazol-4-yl)acetic acid

4-Hydroxybenzoate

hazard signal	Danger
hazard classes and categories	Skin Corr. 1B (10%) Skin Irrit. 2 (90%) Eye Irrit. 2A (90%) STOT SE 3 (100%)
precautionary statement codes	P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H314 (10%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-(2-bromophenyl)acetic acid
canonical smiles	C1=CC=C(C(=C1)CC(=O)O)Br
inchi	InChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
inchi key	DWXSYDKEWORWBT-UHFFFAOYSA-N
molecular formula	C8H7BrO2
synonyms	2-Bromophenylacetic acid 18698-97-0 2-(2-bromophenyl)acetic acid o-Bromophenylacetic acid Benzeneacetic acid, 2-bromo-

Computed Properties

Molecular Weight:	215.04 g/mol
XLogP3:	2.1
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	2
Exact Mass:	213.96294 g/mol
Monoisotopic Mass:	213.96294 g/mol
Topological Polar Surface Area:	37.3 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	147
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

Related Compounds

Phenylacetic Acid

Gabapentin

4-Hydroxyphenylacetic acid

2-Hydroxyphenylacetic acid

3-Phenylpropionic acid

4-Methylbenzoic acid

Phenoxyacetic acid

4-Chlorobenzoic acid

3-Hydroxyphenylacetic acid

Quinclorac

3-Pyridineacetic acid

2-(2,4,5-Trichlorophenoxy)propionic acid

2-Phenylpropionic acid

2-(1-methyl-1H-imidazol-4-yl)acetic acid

4-Hydroxybenzoate

hazard signal	Danger
hazard classes and categories	Skin Corr. 1B (10%) Skin Irrit. 2 (90%) Eye Irrit. 2A (90%) STOT SE 3 (100%)
precautionary statement codes	P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H314 (10%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (90%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (90%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BP6314

2-Bromophenylacetic acid, ≥98%

Product No: BP6314

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: BP6314

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?