4-Isopropylaniline
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Grundinformationen
- CAS
1219804-95-1- Standard-SMILES
CC(C)c1ccc(N)cc1- InChIKey
LRTFPLFDLJYEKT-UHFFFAOYSA-N- Summenformel
- C9H13N
- Durchschnittliche Molmasse
- 135,21 g/mol
Überblick
Para-isopropylaniline is a substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon. It has a role as a bacterial xenobiotic metabolite and a marine xenobiotic metabolite.
Namen und Bezeichner
- Bevorzugter Name
- 4-Isopropylaniline
- IUPAC
- 4-propan-2-ylaniline
- Englischer Name
- 4-iso-Propylaniline--d4
- Summenformel
- C9H13N
- Molmasse
- 135.21
Namen und Synonyme
4-ISOPROPYLANILINE99-88-7Cumidine4-Aminocumenep-Isopropylanilinep-Cumidine4-Amino-1-isopropylbenzenePARA-ISOPROPYLANILINE4-propan-2-ylaniline4-(1-methylethyl)anilinebeta-(4-Aminophenyl)propane0D54T7V7XL
Weitere Namen anzeigen
4-iso-Propylaniline--d4
NSC-7198CHEBI:43405DTXSID20243932RefChem:579535DTXCID50166423202-797-2682-629-64-(Propan-2-Yl)Aniline
Datenbank-Bezeichner
- CAS
1219804-95-1- ChEBI
CHEBI:43405- UNII
- 0D54T7V7XL
- EC Number
- 202-797-2、682-629-6
- Nikkaji
- J11.624F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 90,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Pesticides
Pesticide -> transformation product
Pesticides -> Herbicides -> Urea herbicides -> Phenylurea herbicides -> Transformation products
LogP2.31
Physical DescriptionLiquid; [Merck Index] Clear dark red liquid; [Sigma-Aldrich MSDS]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Status: Active Update: 28-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10013
Benzenamine, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Hematological changes (including increased methemoglobin), increased spleen and liver weights, and histopathological changes of the bone marrow, spleen, and liver observed in oral repeated dose/reproductive/developmental study of rats with NOEL for parental animals of 6 mg/kg/day; This study also demonstrated decreased pup body weights and viability on day 4 of lactation but no evidence of reproductive toxicity; [JECDB] May induce methemoglobinemia; [IUCLID] Causes burns; Toxic by ingestion, inhalation, and skin absorption; [ECHA REACH Registrations] A skin and strong eye irritant; May induce methemoglobinemia; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (16.7%)
Skin Irrit. 2 (100%)
Flammable liquids - Category 4
Toxikologische Informationen
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in the determination of tungsten; [Merck Index] Used in chemical synthesis; [IUCLID] Used to make fine and large scale chemicals; [ECHA REACH Registrations]
Use ClassificationPesticides -> Herbicides -> Urea herbicides -> Phenylurea herbicides -> Transformation products
Anwendungen
Verwenden4-iso-Propylaniline-2,3,5,6-d4 (CAS# 1219804-95-1) is a useful isotopically labeled research compound.
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