Grundinformationen
- Standard-SMILES
COC(=O)c1ccc(OC)c(N)c1- InChIKey
QVDWKLDUBSJEOG-UHFFFAOYSA-N- Summenformel
- C9H11NO3
- Durchschnittliche Molmasse
- 181,19 g/mol
- Monoisotopische Masse
- 181,07389321
Namen und Bezeichner
- Bevorzugter Name
- Methyl 3-Amino-4-methoxybenzoate
- IUPAC
- methyl 3-amino-4-methoxybenzoate
- Englischer Name
- Methyl 3-amino-4-methoxybenzoate
- Summenformel
- C9H11NO3
- Molmasse
- 181.19
Namen und Synonyme
Methyl 3-Amino-4-methoxybenzoateBenzoic acid, 3-amino-4-methoxy-, methyl esterDTXSID80370516RefChem:815206DTXCID10321551627-693-8918-549-824812-90-63-Amino-4-methoxybenzoic Acid Methyl EsterMFCD000171963-Amino-4-methoxy-benzoic acid methyl ester3-Amino-p-anisic Acid Methyl Ester
Weitere Namen anzeigen
METHYL 3-AMINO-P-ANISATEMETHYL-4-METHOXY-3-AMINOBENZOATE3-AMINO-4-ANISIC ACID METHYL ESTERMethyl3-Amino-4-methoxybenzoate>Methyl 3-amino-4-methoxybenzoate 98%3-AMINO-4-METHOXYBENZOIC ACID ETHYL ESTER4-METHOXY-3-AMINOBENZOIC ACID ETHYL ESTER
m-Aminoanissauremethylester2-methoxy-5-methoxycarbonylanilineSTR09418AC-3886SY034451M1715methyl 3-amino-4-methoxy-benzoateAM83067
Datenbank-Bezeichner
- CAS
24812-90-6- PubChem CID
- 2734814
- DTXSID
DTXSID80370516- EC Number
- 627-693-8、918-549-8
- Nikkaji
- J62.068H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 61,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 184
Physikochemische Eigenschaften
- Schmelzpunkt
- 82 · 82-87 °C
- Siedepunkt
- 183 °C · 183 °C / 15mmHg
- Dichte
- 1.179 · 1.179±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 3.39 · 3.39±0.10(Predicted)
- Farbe
- White to Gray to Brown
- BRN
- 2968002 · 2968002
- InChI
- 1S/C9H11NO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,10H2,1-2H3
- InChIKey
- QVDWKLDUBSJEOG-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccc(OC)c(N)c1
- CAS Datenbank
- 24812 · 24812-90-6(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29224999
- risk_code
- 20/21/22-36/37/38-22
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39-24/25
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Anwendungen
VerwendenMethyl 3-amino-4-methoxybenzoate is a kind of weight The fine-chemical intermediate wanted, is widely used in dye industry, is mainly used in cotton, synthetic cotton, the dyeing of flaxen fiber and stamp.
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