1,3-Benzoxazol-5-amine

HCID 1482188

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 63837-12-7
Standard-SMILES: Nc1ccc2ocnc2c1
InChIKey: IAWQUHCVFXQBMC-UHFFFAOYSA-N
Summenformel: C7H6N2O
Durchschnittliche Molmasse: 134,14 g/mol
Monoisotopische Masse: 134,04801282

Namen und Bezeichner

Bevorzugter Name: 1,3-Benzoxazol-5-amine
IUPAC: 1,3-benzoxazol-5-amine
Englischer Name: 5-Aminobenzooxazole
Summenformel: C7H6N2O
Molmasse: 134.14

Namen und Synonyme

1,3-benzoxazol-5-amine63837-12-75-AminobenzoxazoleDTXSID10363254RefChem:413872DTXCID50314301675-050-55-Aminobenzooxazolebenzo[d]oxazol-5-amine5-benzoxazolamine5-Amino-1,3-benzoxazoleMFCD05256201

Weitere Namen anzeigen

1,3-Benzoxazol-5-amine, 5-Aminobenzo[d]oxazole

benzooxazol-5-ylamine5-Aminobenzoxazolbenzoxazole-5-ylamineSCHEMBL115366SCHEMBL4152683SCHEMBL29361664IAWQUHCVFXQBMC-UHFFFAOYSA-N1,3-Benzoxazol-5-aMine, >95%

Datenbank-Bezeichner

CAS: 63837-12-7
PubChem CID: 1482188
DTXSID: DTXSID10363254
EC Number: 675-050-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 129

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-66°C
Siedepunkt: 282.3 · 282.3±13.0 °C(Predicted)
Dichte: 1.317 · 1.317±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, protect from light
pka: 6.97 · 6.97±0.10(Predicted)
Aggregatzustand: Solid
InChI: InChI=1S/C7H6N2O/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H,8H2
InChIKey: IAWQUHCVFXQBMC-UHFFFAOYSA-N
SMILES: O1C2=CC=C(N)C=C2N=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (60%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.；There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).；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.