Grundinformationen
- Standard-SMILES
COc1ccc(N)cc1OC- InChIKey
LGDHZCLREKIGKJ-UHFFFAOYSA-N- Summenformel
- C8H11NO2
- Durchschnittliche Molmasse
- 153,18 g/mol
- Monoisotopische Masse
- 153,07897859
Überblick
3,4-dimethoxyaniline is a brown powder. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 3,4-Dimethoxyaniline
- IUPAC
- 3,4-dimethoxyaniline
- Lokaler Name
- 3,4-Dimethoxyanilin
- Englischer Name
- 4-Aminoveratrole
- Summenformel
- C8H11NO2
- Molmasse
- 153.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6315-89-5- PubChem CID
- 22770
- DTXSID
DTXSID8064226- UNII
- XD9UJ596XD
- EC Number
- 228-647-6
- Nikkaji
- J15.119J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 44,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 119
Experimentelle und physikochemische Eigenschaften
Physical Description
3,4-dimethoxyaniline is a brown powder. (NTP, 1992)
Brown solid; [CAMEO] Brown crystalline solid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 85 · 85-89 °C (lit.)
- Siedepunkt
- 174 · 174-176 °C/22 mmHg (lit.)
- Dichte
- 1.1577 · 1.1577 (rough estimate)
- Brechungsindex
- 1.464 · 1.4640 (estimate)
- Flammpunkt
- 174 · 174-176°C/22mm
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 4.78 · 4.78±0.10(Predicted)
- Aggregatzustand
- Crystalline Powder
- Farbe
- Brown
- Wasserlöslichkeit
- insoluble
- BRN
- 743399 · 743399
- InChI
- 1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
- InChIKey
- LGDHZCLREKIGKJ-UHFFFAOYSA-N
- SMILES
- COc1ccc(N)cc1OC
- CAS Datenbank
- 6315 · 6315-89-5(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · Benzenamine, 3,4-dimethoxy-(6315-89-5)
- EPA chemische Informationen
- 3 · 3,4-Dimethoxyaniline (6315-89-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
An irritant; [NTP] May cause irritation; May induce methemoglobinemia; Harmful by ingestion and inhalation; Toxic by skin absorption; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS] See 2,4-Dimethoxyanilineand 2,5-Dimethoxyaniline.
Reactivity Profile
3,4-DIMETHOXYANILINE is sensitive to prolonged exposure to light. (NTP, 1992). Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29222900
- RTECS-Nr.
- BX4550000
- risk_code
- 22-36/37/38-20/21/22
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 22-24/25-36/37/39-26-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Anwendungen
Verwenden3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.
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