Grundinformationen
- Standard-SMILES
Nc1ccc(Oc2ccccc2)cc1- InChIKey
WOYZXEVUWXQVNV-UHFFFAOYSA-N- Summenformel
- C12H11NO
- Durchschnittliche Molmasse
- 185,22 g/mol
- Monoisotopische Masse
- 185,08406397
Namen und Bezeichner
- Bevorzugter Name
- (4-Aminophenoxy)benzene
- IUPAC
- 4-phenoxyaniline
- Lokaler Name
- 4-Phenoxy-benzolamin
- Englischer Name
- 4-Phenoxyaniline
- Summenformel
- C12H11NO
- Molmasse
- 185.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
139-59-3- PubChem CID
- 8764
- DTXSID
DTXSID8059687- ChEMBL
CHEMBL249550- UNII
- 44P7PAW368
- EC Number
- 205-367-2
- Nikkaji
- J33.852D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 35,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 158
Physikochemische Eigenschaften
- Schmelzpunkt
- 82 · 82-84 °C(lit.)
- Siedepunkt
- 140 °C · 140 °C (2.2503 mmHg)
- Dichte
- 1.0936 · 1.0936 (rough estimate)
- Brechungsindex
- 1.53 · 1.5300 (estimate)
- storage temp.
- RT, protect from light
- Aggregatzustand
- Crystalline Flakes or Powder
- pka
- 4.75 · 4.75±0.10(Predicted)
- Farbe
- Brown to green-brown
- Wasserlöslichkeit
- 1 g/L · < 1 g/L (20 ºC)
- BRN
- 777708 · 777708
- InChI
- InChI=1S/C12H11NO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
- InChIKey
- WOYZXEVUWXQVNV-UHFFFAOYSA-N
- SMILES
- C1(N)=CC=C(OC2=CC=CC=C2)C=C1
- CAS Datenbank
- 139 · 139-59-3(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenamine, 4-phenoxy-(139-59-3)
- EPA chemische Informationen
- 4 · Benzenamine, 4-phenoxy- (139-59-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (89.6%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (97.9%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (89.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (14.6%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H400 (12.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (12.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- F
- 9
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29222990
- RTECS-Nr.
- BY7930000
- risk_code
- 22-36/37/38-43-68-50/53
- Toxizität
- skn-rbt 500 mg/24H MLD 28ZPAK -,119,72
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-61-45-24
- hazard_class
- 9
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Chemie und Industrie
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