Bis(p-chlorphenyl)essigsure

Bis(4-chlorophenyl)acetic acid

HCID 6730

Grundinformationen

CAS
83-05-6
Standard-SMILES
O=C(O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
YIOCIFXUGBYCJR-UHFFFAOYSA-N
Summenformel
C14H10Cl2O2
Durchschnittliche Molmasse
281,1 g/mol
Monoisotopische Masse
280,00578492

Überblick

Bis(4-chlorophenyl)acetic acid is a organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position. It is a monocarboxylic acid and a member of monochlorobenzenes. It is functionally related to an acetic acid.

Namen und Bezeichner

Bevorzugter Name
Bis(4-chlorophenyl)acetic acid
IUPAC
2,2-bis(4-chlorophenyl)acetic acid
Lokaler Name
Bis(p-chlorphenyl)essigsure
Englischer Name
4,4'-DDA
Summenformel
C14H10Cl2O2
Molmasse
281.13

Namen und Synonyme

Bis(4-chlorophenyl)acetic acid2,2-Bis(4-chlorophenyl)acetic acid83-05-6BIS(P-CHLOROPHENYL)ACETIC ACIDDichlorodiphenylacetic acid2,2-Bis(p-chlorophenyl)acetic acidp,p'-Dichlorodiphenylacetic acidDi(p-chlorophenyl)acetic acidBis(p-chlorphenyl)essigsaeureAcetic acid, bis(p-chlorophenyl)-N0U8S29G6E4-Chloro-alpha-(4-chlorophenyl)benzeneacetic acid
Weitere Namen anzeigen
4,4'-DDAbis(p-​WLN: QYVR DG&R DGTIMTEC-BB SBB003019P,P'-DDA, 100MG, NEATdda(degradationproduct)DDA, Degradation Productdichlorodiphenylaceticacidp,p'-DDA@100 μg/mL in MeOH
CHEBI:28139Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-NSC-4279RefChem:120141201-451-8p,p'-DDANSC 4279DTXSID3040699

Datenbank-Bezeichner

CAS
83-05-6
PubChem CID
6730
DTXSID
DTXSID3040699
ChEMBL
CHEMBL1879491
ChEBI
CHEBI:28139
UNII
N0U8S29G6E
EC Number
201-451-8
Nikkaji
J3.870I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
18

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature
LogP4.64
Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt
167 · 167-169 °C (lit.)
Siedepunkt
392.54 °C · 392.54°C (rough estimate)
Dichte
1.2624 · 1.2624 (rough estimate)
Brechungsindex
1.473 · 1.4730 (estimate)
storage temp.
0 · 0-6°C
pka
4.51 · 4.51±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
RTECS-Nr.
AF5475000
risk_code
20/21/22-40
Toxizität
sln-dmg-orl 3700 mmol/L MUREAV 16,157,72
hazard_code
Xn
safety_code
7-22-36-45

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS.

Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.

Substances that stimulate mitosis and lymphocyte transformation. They include not only substances associated with LECTINS, but also substances from streptococci (associated with streptolysin S) and from strains of alpha-toxin-producing staphylococci. (Stedman, 25th ed)

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter25 Anbieter

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position.

Zugehörige Reaktionen

56

Notizen zur Verbindung

Wird geladen…