3-Thiophenemethylamine

HCID 2776381CAS 27757-86-4

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Grundinformationen

Standard-SMILES: NCc1ccsc1
InChIKey: DUDAKCCDHRNMDJ-UHFFFAOYSA-N
Summenformel: C5H7NS
Durchschnittliche Molmasse: 113,18 g/mol
Monoisotopische Masse: 113,02992022

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 3-Thiophenemethylamine
IUPAC: thiophen-3-ylmethanamine
Englischer Name: 3-Thienylmethylamine
Summenformel: C5H7NS
Molmasse: 113.18

Namen und Synonyme

3-ThiophenemethylamineRefChem:4941653-THIENYLMETHYLAMINE27757-86-4thiophen-3-ylmethanamine3-Thiophenemethanamine3-(Aminomethyl)thiophene1-THIEN-3-YLMETHANAMINEThiophen-3-yl-methylamine(thiophen-3-yl)methanamineMFCD015298721-(thiophen-3-yl)methanamine

Weitere Namen anzeigen

BVCBUTTPARK 121\50-76RARECHEM AL BW 07783-thienylmethanamine(Thien-3-yl)methylamine

1-(3-THIENYL)METHANAMINECHEMBL2526021-(3-thienyl)methanamine, hydrochloride(3-thienylmethyl)amineF3145-18943-Thiophene-methylamine3-thiopheneylmethanamineChemDiv2_001991

Datenbank-Bezeichner

CAS: 27757-86-4
PubChem CID: 2776381
DTXSID: DTXSID50950445
ChEMBL: CHEMBL252602
EC Number: 638-931-5
Nikkaji: J2.662.763J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 54,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Siedepunkt: 102 °C · 102°C (15 mmHg)
Dichte: 1.13 · 1.130
Brechungsindex: 1.566 · 1.5660
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: clear liquid
pka: 9.57 · 9.57±0.29(Predicted)
Farbe: Colorless to Light yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKey: DUDAKCCDHRNMDJ-UHFFFAOYSA-N
SMILES: C1SC=CC=1CN

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (20%)

Sicherheitsdaten

ridadr: 2735
hs_code: 29349990
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅲ

Chemie und Industrie

Anwendungen

Verwenden3-Thiophenemethylamineis an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.