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3-Chlorobenzoic acid - 99%, high purity , CAS No.535-80-8

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3-Chlorobenzoic acid - 99%, high purity , CAS No.535-80-8

2 Citations

COA

Grade & Purity:

≥99%

Cas Number: 535-80-8
Molecular Weight: 156.57
Beilstein Registry Number: 907218
EC Number: 208-618-4
MDL number: MFCD00002491
PubChem CID: 447
PubChem SID: 488179523

In stock

Item Number

C104330

Grouped product items
SKU	Size	Availability	Price
C104330-25g	25g	4	$24.90
C104330-100g	100g	4	$61.90
C104330-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$215.90

View related series

Bacterial (3013) carboxylic acid (2098) Metabolite (5307) Non heterocyclic block (8163)

Basic Description

Synonyms	3-cholro-benzoate \| Benzoic acid, m-chloro- \| CHEBI:49410 \| Acido m-clorobenzoico [Italian] \| AM20050162 \| EINECS 208-618-4 \| M-CHLOROBENZOIC ACID [MI] \| NSC8443 \| NSC-8443 \| m-chloro benzoic acid \| NCGC00257879-01 \| STR04527 \| meta-chlorobenzoic acid \| 3
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic acids
Alternative Parents	3-halobenzoic acids Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors	monochlorobenzoic acid
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

Associated Targets(Human)

TPMT Tchem Thiopurine S-methyltransferase (45 Activities)

Discover Target: TPMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488179523
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179523
IUPAC Name	3-chlorobenzoic acid
INCHI	InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
InChIKey	LULAYUGMBFYYEX-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Cl)C(=O)O
Isomeric SMILES	C1=CC(=CC(=C1)Cl)C(=O)O
WGK Germany	3
RTECS	DG4975990
Molecular Weight	156.57
Beilstein	907218
Reaxy-Rn	907218
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907218&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
F2129162	Certificate of Analysis	Apr 03, 2025	C104330
L2017150	Certificate of Analysis	Oct 10, 2024	C104330
J2414444	Certificate of Analysis	Jun 26, 2024	C104330
D2407089	Certificate of Analysis	Dec 28, 2021	C104330
B2314149	Certificate of Analysis	Dec 28, 2021	C104330
B2314145	Certificate of Analysis	Dec 28, 2021	C104330
H2315314	Certificate of Analysis	Dec 28, 2021	C104330
L22151194	Certificate of Analysis	Dec 28, 2021	C104330

Chemical and Physical Properties

Solubility	Solubility in water: soluble in hot water Solubility in other solvents: freely soluble in alcohol and ethe
Sensitivity	Moisture sensitive.
Boil Point(°C)	274-276℃
Melt Point(°C)	155-158°C
Molecular Weight	156.560 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	155.998 Da
Monoisotopic Mass	155.998 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136.000
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

Citations of This Product

How to Cite Aladdin Scientific Products? Citations Search

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