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3,4-Dimethoxyanilin

3,4-Dimethoxyaniline

HCID 22770
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Grundinformationen

CAS
6315-89-5
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 StruktureigenschaftenWird ergänzt

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

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
Löslichkeit

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

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
Reactivity Profile · 1 Eintrag

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

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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

4-azido-1,2-dimethoxybenzeneBenzamide, N-hydroxy-3,4-dimethoxy-3,4-Dimethoxyphenolveratrylglycerol-beta-guaiacyl ether4-Nitroveratrol4-Bromveratrol1-(3,4-Dimethoxyphenyl)ethan-1-on4-chloro-1,2-dimethoxy-benzene1,2-Dimethoxybenzol

Nachgelagerte Produkte

4-chloro-6,7-dimethoxyquinoline

Zugehörige Reaktionen

923
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 3206
HRID 3206als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 5746
HRID 5746als Eduktuspto-grants-1993_09
Reaktionsgleichung von HRID 16257
HRID 16257als Eduktuspto-grants-2010_06
Reaktionsgleichung von HRID 62114
HRID 62114als Eduktuspto-grants-2016_09
Reaktionsgleichung von HRID 71363
HRID 71363als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 71380
HRID 71380als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 71486
HRID 71486als Eduktuspto-grants-2014_09
Reaktionsgleichung von HRID 71491
HRID 71491als Eduktuspto-grants-2014_09
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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)
Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

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
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
4-Aminocatechol
2,3-Dimethoxyaniline
2'-Amino-4',5'-dimethoxyacetophenone
Benzenediazonium, 4,5-dimethoxy-2-[[4-nitro-2-(phenylsulfonyl)phenyl]azo]-
6,7-Dimethoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester