(S)-(-)-1-(4-chlorophenyl)ethylamine

HCID 1550852

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 4187-56-8
Standard-SMILES: C[C@H](N)c1ccc(Cl)cc1
InChIKey: PINPOEWMCLFRRB-LURJTMIESA-N
Summenformel: C8H10ClN
Durchschnittliche Molmasse: 155,62 g/mol
Monoisotopische Masse: 155,050177

Überblick

(S)-1-(4-Chlorophenyl)ethylamine is an organochlorine compound.

Namen und Bezeichner

Bevorzugter Name: (S)-(-)-1-(4-chlorophenyl)ethylamine
IUPAC: (1S)-1-(4-chlorophenyl)ethanamine
Englischer Name: (S)-1-(4-Chlorophenyl)ethylamine
Summenformel: C8H10ClN
Molmasse: 155.63

Namen und Synonyme

(s)-(-)-1-(4-chlorophenyl)ethylamineRefChem:407656(-)-1-(4-chlorophenyl)ethylamine609-965-8(S)-1-(4-Chlorophenyl)ethylamine4187-56-8(S)-1-(4-chlorophenyl)ethanamine(1S)-1-(4-chlorophenyl)ethanamineMFCD00671640(S)-4-Chloro-alpha-methylbenzylamine(S)-1-(4-chlorophenyl)ethan-1-amine(1S)-1-(4-chlorophenyl)ethan-1-amine

Weitere Namen anzeigen

clophas(S)-1-(4-ChL4-chloro-a-Methyl-(s)-4-chloro-à-methylbenzylamine(S)-4-Chloro-α-methylbenzylamine

5Y5RW6RLW9(S)-4-ChlorophenylethylamineClophaS\(tm(1~{R})-1-(4-chlorophenyl)ethanamine(S)-1-(4-chlorophenyl)-ethylamineUNII-5Y5RW6RLW9SCHEMBL140922orb3030323

Datenbank-Bezeichner

CAS: 4187-56-8
PubChem CID: 1550852
DTXSID: DTXSID50962028
ChEMBL: CHEMBL5179386
ChEBI: CHEBI:194663
UNII: 5Y5RW6RLW9
EC Number: 609-965-8
Nikkaji: J57.024I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 97,4

Physikochemische Eigenschaften

Schmelzpunkt: 136 · 136-137 °C
Siedepunkt: 232 °C · 232 °C
Dichte: 1.11 g/mL · 1.110 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.543(lit.)
Flammpunkt: 232 °C · 232°C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 8.82 · 8.82±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear pale yellow
Wasserlöslichkeit: VERY LOW SOLUBILITY
BRN: 2412316 · 2412316
InChI: 1S/C8H10ClN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m0/s1
InChIKey: PINPOEWMCLFRRB-LURJTMIESA-N
SMILES: C[C@H](N)c1ccc(Cl)cc1
CAS Datenbank: 4187 · 4187-56-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (72.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P332+P317, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 150 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (72.7%)

Sicherheitsdaten

F: 10-34
wgk: 2
ridadr: UN 2811 6.1/PG 3
hs_code: 29211990
risk_code: 25-37/38-41-51/53-34-22-43-38-37-23
hazard_code: T,N,C
safety_code: 26-39-45-61-36/37/39
hazard_class: 8
packing_group: II
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Anwendungen

VerwendenIt is used as a substrate in palladium catalysts on alkaline-earth supports for racemization and dynamic kinetic resolution of benzylic amines.