Thiophen-2-ethylamin

Thiopheneethanamine

HCID 116521

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Grundinformationen

CAS: 30433-91-1
Standard-SMILES: NCCc1cccs1
InChIKey: HVLUYXIJZLDNIS-UHFFFAOYSA-N
Summenformel: C6H9NS
Durchschnittliche Molmasse: 127,21 g/mol
Monoisotopische Masse: 127,04557029

Namen und Bezeichner

Bevorzugter Name: Thiopheneethanamine
IUPAC: 2-thiophen-2-ylethanamine
Lokaler Name: Thiophen-2-ethylamin
Englischer Name: Thiophene-2-ethylamine
Summenformel: C6H9NS
Molmasse: 127.21

Namen und Synonyme

Thiophene-2-ethylamine2-ThiopheneethanamineThiopheneethanamineThiopheneethylamine64059-34-3Thiophene-1-ethylamineEINECS 264-646-7EINECS 250-196-9EC 250-196-9RefChem:897909DTXSID901059156250-196-9

Weitere Namen anzeigen

Thiophen-2-ylacetyl chloride2-Thien-2-yLThiopheneEthaMineRARECHEM AL BW 00992-Thiopheneethamine2-Thiopheneethylamin2-ThiophenethylaMine

264-646-730433-91-12-Thiopheneethylamine2-(thiophen-2-yl)ethanamine2-(thiophen-2-yl)ethan-1-amine2-(2-Aminoethyl)thiophene2-(2-Thienyl)ethylamine2-thien-2-ylethanamine

Datenbank-Bezeichner

CAS: 30433-91-1、64059-34-3
PubChem CID: 116521
DTXSID: DTXSID60952773
ChEMBL: CHEMBL252803
UNII: 7UZ2FP9KDC
EC Number: 250-196-9、264-646-7
Nikkaji: J249.989D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 54,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 65,5

Physikochemische Eigenschaften

Schmelzpunkt: 202 °C · 202 °C
Siedepunkt: 200 · 200-201 °C/750 mmHg (lit.)
Dichte: 1.087 g/mL · 1.087 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.551(lit.)
Flammpunkt: 190 °F · 190 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO, Methanol
pka: 9.47 · 9.47±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.087 · 1.087
Farbe: Colorless to yellow
BRN: 106962 · 106962
InChI: 1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
InChIKey: HVLUYXIJZLDNIS-UHFFFAOYSA-N
SMILES: NCCc1cccs1
CAS Datenbank: 30433 · 30433-91-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/12301

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (87.2%)

Skin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: NA 1993 / PGIII
hs_code: 29339900
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-37/39
hazard_class: 8
packing_group: II
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3