4-amino-2-chloro-N,N-dimethylbenzamide

HCID 10943480

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Grundinformationen

CAS: 98995-06-3
Standard-SMILES: CN(C)C(=O)c1ccc(N)cc1Cl
InChIKey: HYYZVBNRQCDKET-UHFFFAOYSA-N
Summenformel: C9H11ClN2O
Durchschnittliche Molmasse: 198,65 g/mol
Monoisotopische Masse: 198,0559907

Namen und Bezeichner

Bevorzugter Name: 4-amino-2-chloro-N,N-dimethylbenzamide
IUPAC: 4-amino-2-chloro-N,N-dimethylbenzamide
Englischer Name: 4-amino-2-chloro-N,N-dimethylbenzamide
Summenformel: C9H11ClN2O
Molmasse: 198.65

Namen und Synonyme

4-amino-2-chloro-N,N-dimethylbenzamide98995-06-3DTXSID40449237RefChem:289819DTXCID70400058Benzamide, 4-amino-2-chloro-N,N-dimethyl-MFCD097349304-amino-2-chloro-N,N-dimethyl-benzamideSCHEMBL3174627HYYZVBNRQCDKET-UHFFFAOYSA-NYDA99506BBL031422

Weitere Namen anzeigen

OTAVA-BB 1134976UKRORGSYN-BB BBV-0278922-Chloro-4-amino-N,N-dimethylbenzamide4-amino-2-chloro-N,N-dimethylbenzamide(SALTDATA: FREE)

STK862462AKOS000103449VS-10486DB-106552CS-0118592EN300-54223F311252F2163-0144

Datenbank-Bezeichner

CAS: 98995-06-3
PubChem CID: 10943480
DTXSID: DTXSID40449237
EC Number: 885-874-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 196

Physikochemische Eigenschaften

Schmelzpunkt: 167 · 167-169 °C
Siedepunkt: 396.9 · 396.9±32.0 °C(Predicted)
Dichte: 1.249 · 1.249±0.06 g/cm3(Predicted)
pka: 1.6 · 1.60±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+P338, P317, 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 2 reports by companies from 2 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.