3-(1H-1,3-benzodiazol-2-yl)aniline

HCID 348695CAS 7596-74-9
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Grundinformationen

Standard-SMILES
Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIKey
JHTBOVFZNCAYFZ-UHFFFAOYSA-N
Summenformel
C13H11N3
Durchschnittliche Molmasse
209,25 g/mol
Monoisotopische Masse
209,09529736

Namen und Bezeichner

Bevorzugter Name
3-(1H-1,3-benzodiazol-2-yl)aniline
IUPAC
3-(1H-benzimidazol-2-yl)aniline
Englischer Name
3-(1H-Benzimidazol-2-yl)aniline
Summenformel
C13H11N3
Molmasse
209.25

Namen und Synonyme

3-(1H-1,3-benzodiazol-2-yl)anilineRefChem:489749636-044-87596-74-93-(1H-benzimidazol-2-yl)aniline3-(1H-BENZO[D]IMIDAZOL-2-YL)ANILINE3-(1H-Benzoimidazol-2-yl)-phenylamineMFCD006004073-benzimidazol-2-ylphenylamineSMR000015589NSC408147Benzenamine, 3-(1H-benzimidazol-2-yl)-
Weitere Namen anzeigen
3-(1H-benz[d]imidazol-2-yl)aniline3-(1H-benzo[d]iMidazol-2-yl)benzenaMine3-(1H-benzimidazol-2-yl)aniline(SALTDATA: FREE)
Cambridge id 5760621Oprea1_160905Oprea1_647109MLS000103357MLS000108485SCHEMBL7588452-(3-aminophenyl)benzimidazoleCHEMBL1313788

Datenbank-Bezeichner

CAS
7596-74-9
PubChem CID
348695
DTXSID
DTXSID80324993
ChEMBL
CHEMBL1313788
EC Number
636-044-8
Nikkaji
J340.016F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
54,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
16

Physikochemische Eigenschaften

Schmelzpunkt
252 · 252-253 °C
Siedepunkt
482.5 · 482.5±47.0 °C(Predicted)
Dichte
1.286 · 1.286±0.06 g/cm3(Predicted)
pka
11.5 · 11.50±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 40 reports by companies from 3 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hazard_class
IRRITANT

Chemie und Industrie

Anbieter14 Anbieter

山东普创医药科技有限公司18953403321 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]

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