3,4-Dimethoxyaniline

HCID 22770

Basic information

CAS
6315-89-5
Standard SMILES
COc1ccc(N)cc1OC
InChIKey
LGDHZCLREKIGKJ-UHFFFAOYSA-N
Molecular formula
C8H11NO2
Average molar mass
153.18 g/mol
Monoisotopic mass
153.07897859

Overview

3,4-dimethoxyaniline is a brown powder. (NTP, 1992)

Names & identifiers

Preferred name
3,4-Dimethoxyaniline
IUPAC
3,4-dimethoxyaniline
English name
4-Aminoveratrole
Molecular formula
C8H11NO2
Molecular weight
153.18

Names & synonyms

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
Show more names
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

Database identifiers

CAS
6315-89-5
PubChem CID
22770
DTXSID
DTXSID8064226
UNII
XD9UJ596XD
EC Number
228-647-6
Nikkaji
J15.119J

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

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 items

3,4-dimethoxyaniline is a brown powder. (NTP, 1992)

Brown solid; [CAMEO] Brown crystalline solid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
85 · 85-89 °C (lit.)
Boiling point
174 · 174-176 °C/22 mmHg (lit.)
Density
1.1577 · 1.1577 (rough estimate)
refractive index
1.464 · 1.4640 (estimate)
Flash point
174 · 174-176°C/22mm
storage temp.
Keep in dark place,Inert atmosphere,Room temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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 item

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

Safety & protection

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

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 item

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 item

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)

Toxicology

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

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
BX4550000
ridadr
2811
hs_code
29222900

Chemistry & industry

Pharmacology

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

Uses & manufacturing

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

Applications

Uses3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

Related reactions

923 records

Compound notes

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