ácido 3,5-diclorobenzóico - ≥97% , CAS No.51-36-5

CAS: 51-36-5 Cat. No.: D119321 Fórmula: C7H4Cl2O2 Peso molecular: 191.01 Beilstein Registry Number: 9344 Número CE: 200-092-4
Disponível para encomenda
GRADE & PURITY ≥97%
Synonyms
STR05308 | 3,5-Dichlorobenzoic acid, 97% | DTXSID4024981 | AI3-27555 | DTXCID004981 | SY001678 | EN300-19910 | D0341 | RH-20839 | Tox21_200155 | NCGC00091834-01 | W-105901 | PS-3241 | 3,5-DICHLOROBENZOIC ACID | 3,5-Dichloro-benzoic acid | NCGC00091834-03
Storage
Armazenar a 2-8°C
Shipped In
Gelo húmido
★
Size
Alemanha (EU)
USA*
Price
Qty
5g
D119321-5g
—
3 Em stock

8,59€

12,93€
Gravar 4,34 € (33.56%)
25g
D119321-25g
—
3 Em stock

9,46€

14,66€
Gravar 5,21 € (35.50%)
100g
D119321-100g
—
3 Em stock

18,14€

27,68€
Gravar 9,55 € (34.48%)
500g
D119321-500g
Sob encomenda · 8–12 semanas

57,18€

85,82€
Gravar 28,64 € (33.37%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Armazenar a 2-8°C Ships Gelo húmido Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
STR05308 | 3,5-Dichlorobenzoic acid, 97% | DTXSID4024981 | AI3-27555 | DTXCID004981 | SY001678 | EN300-19910 | D0341 | RH-20839 | Tox21_200155 | NCGC00091834-01 | W-105901 | PS-3241 | 3,5-DICHLOROBENZOIC ACID | 3,5-Dichloro-benzoic acid | NCGC00091834-03
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Armazenar a 2-8°C
Enviado em
Gelo húmido
Pureza
≥97%
Nomes e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504750943
Sorrisos canónicos
C1=C(C=C(C=C1Cl)Cl)C(=O)O
IUPAC Name
3,5-dichlorobenzoic acid
InChIKey
CXKCZFDUOYMOOP-UHFFFAOYSA-N
INCHI
1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
SMILES isoméricas
C1=C(C=C(C=C1Cl)Cl)C(=O)O
Peso molecular
191.01
Beilstein
9344
Reaxy-Rn
2044776
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044776&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Benzoic acids
Direct ParentDichlorobenzoic acids
Alternative Parents Halobenzoic acids  3-halobenzoic acids  Dichlorobenzenes  Benzoyl derivatives  Aryl chlorides  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 3,5-dichlorobenzoic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as dichlorobenzoic acids. These are benzoic acids having two chlorine atoms attached to the carboxylated benzene ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
TPMT Tchem Thiopurine S-methyltransferase (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Lymphoblastoid cell (5959 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
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.

5 results found

Lot NumberCertificate TypeDataItem
A1911107Certificate of AnalysisAug 13, 2026 D119321
K2116476Certificate of AnalysisAug 13, 2025 D119321
K2116478Certificate of AnalysisAug 13, 2025 D119321
K2116479Certificate of AnalysisAug 13, 2025 D119321
L1608048Certificate of AnalysisJul 03, 2024 D119321
Propriedades químicas e físicas
Ponto de fusão (°C)184-187°C
Peso molecular191.010 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.959 Da
Monoisotopic Mass189.959 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity151.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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