Methyl 2-amino-5-chloro-3-methylbenzenecarboxylate

HCID 12744623

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Grundinformationen

CAS: 79101-83-0
Standard-SMILES: COC(=O)c1cc(Cl)cc(C)c1N
InChIKey: BOYQWVQNPIZDPU-UHFFFAOYSA-N
Summenformel: C9H10ClNO2
Durchschnittliche Molmasse: 199,63 g/mol
Monoisotopische Masse: 199,0400063

Namen und Bezeichner

Bevorzugter Name: Methyl 2-amino-5-chloro-3-methylbenzenecarboxylate
IUPAC: methyl 2-amino-5-chloro-3-methylbenzoate
Englischer Name: Benzoic acid, 2-aMino-5-chloro-3-Methyl-, Methyl ester
Summenformel: C9H10ClNO2
Molmasse: 199.63

Namen und Synonyme

79101-83-0methyl 2-amino-5-chloro-3-methylbenzenecarboxylateRefChem:814062842-279-9methyl 2-amino-5-chloro-3-methylbenzoateBenzoic acid, 2-amino-5-chloro-3-methyl-, methyl esterMFCD11501868methyl2-amino-5-chloro-3-methylbenzoatemethyl 5-chloro-2-amino-3-methyl-benzoateSCHEMBL1056378BOYQWVQNPIZDPU-UHFFFAOYSA-NAKOS010054446

Weitere Namen anzeigen

2-Amino-5-chloro-3-methyl-benzoic acid methyl ester

HA-0823DB-297851methyl 2-amino-5-chloro-3-methyl-benzoateCS-0187465D83139EN300-3783222-amino-3-methyl-5-chlorobenzoic acid methyl esterZ594218700

Datenbank-Bezeichner

CAS: 79101-83-0
PubChem CID: 12744623
EC Number: 842-279-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 52,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 198

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-35 °C
Siedepunkt: 316.2 · 316.2±37.0 °C(Predicted)
Dichte: 1.264 · 1.264±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 1.61 · 1.61±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.