3,4-Dimethoxyanilin

3,4-Dimethoxyaniline

HCID 22770CAS 6315-89-5

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

3,4-Dimethoxyaniline6315-89-54-Aminoveratrole4-AminoveratrolBenzenamine, 3,4-dimethoxy-3,4-Dimethoxybenzenamine2-Methoxy-4-aminoanisoleANILINE, 3,4-DIMETHOXY-3,4-Dimethoxy aniline4-amino-veratroleMFCD000083944-amino-1,2-dimethoxybenzene
Weitere Namen anzeigen
25kg100G/500G/25KG3,4-DimethoxyaniLTIMTEC-BB SBB00404313,4-MethoxyAniline3,4-dimethoxy-anilin4-Aminoveratrole,98%
3,4-dimethoxylaniline3,4-dimethoxyphenylamineNSC-210333,4-dimethoxy phenylamineXD9UJ596XDNSC21033AC-907/25014217Z1245635761

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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Solubility1 to 10 mg/mL at 64 °F (NTP, 1992)
Melting Point189 to 190 °F (NTP, 1992)
Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

Regulatory InformationChemical: Benzenamine, 3,4-dimethoxy-
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992)
Hazards Summary · 1 Eintrag

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.

Reactive GroupAmines, Aromatic

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
First Aid · 1 Eintrag

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 · 1 Eintrag

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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

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

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29222900
RTECS-Nr.
BX4550000
risk_code
22-36/37/38-20/21/22

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites4-aminoveratrole has known human metabolites that include N-(3,4-Dimethoxyphenyl)acetamide.

Verwendung und Herstellung

General Manufacturing InformationBenzenamine, 3,4-dimethoxy-: ACTIVE

Anwendungen

Verwenden3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.

Anbieter50 Anbieter

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