3,5-Dichlorobenzoic acid - analytical standard , CAS No.51-36-5

CAS: 51-36-5 Cat. No.: D114575 Formula: C7H4Cl2O2 Peso molecolare: 191.01 Beilstein Registry Number: 9344 Numero EC: 200-092-4
Disponibile su ordine
QUALITÀ & PUREZZA Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
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
Room temperature
Shipped In
Normal
★
Dimensione
Germania (EU)
USA*
Prezzo
Qtà
250mg
D114575-250mg
Su ordinazione · 8–12 settimane

100,57€

117,93€
Salva 17,35 € (14.72%)
Enter a quantity for the sizes you want to add.

Specifiche

Sinonimi
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
Specifiche e purezza
analytical standard
Condizioni di conservazione di stoccaggio
Room temperature
Spedito in
Normal
Grado
Standard analitico
Nomi e identificatori
Sorrisi canonici
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)
Isomeri SMILES
C1=C(C=C(C=C1Cl)Cl)C(=O)O
Peso molecolare
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=

Dati avanzati

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
DescrizioneThis 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
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
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
Obiettivi associati (non umani)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
Punto di fusione (°C)184-187°C
Peso molecolare191.010 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
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Domande frequenti

How should this product be stored?
Store at room temperature.
What does analytical standard mean?
analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.
How is this product shipped?
This product ships under standard ambient conditions. No temperature-controlled packaging is required.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 51-36-5, the molecular formula is C7H4Cl2O2, and the molecular weight is 191.01 g/mol. InChIKey CXKCZFDUOYMOOP-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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