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
Weitere Namen anzeigen
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
- Formalladung
- 0
- Komplexität
- 258
Experimentelle und physikochemische Eigenschaften
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)
- BRN
- 1913593 · 1913593
- InChI
- 1S/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
- InChIKey
- YIOCIFXUGBYCJR-UHFFFAOYSA-N
- SMILES
- OC(=O)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
- EPA chemische Informationen
- p,p'-Dichlorodiphenylacetic acid (83-05-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
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
Ergänzende Hinweise
DefinitionChEBI: A organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position.
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