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
Show more names
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
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Physical Description
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
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 4.78 · 4.78±0.10(Predicted)
- form
- Crystalline Powder
- color
- Brown
- Water Solubility
- 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 DataBase Reference
- 6315 · 6315-89-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 UJ596XD · XD9UJ596XD
- NIST Chemistry Reference
- 3 · Benzenamine, 3,4-dimethoxy-(6315-89-5)
- EPA Substance Registry System
- 3 · 3,4-Dimethoxyaniline (6315-89-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352+P312
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,T,Xi
- Risk Statements
- 22 · 22-36/37/38-20/21/22
- Safety Statements
- 22 · 22-24/25-36/37/39-26-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- RTECS
- 4550000 · BX4550000
- Hazard Note
- Toxic/Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29222900 · 29222900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 Oral
Safety & regulation
GHS classification
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.
Hazard information
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
Safety & protection
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)
Toxicology
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BX4550000
- ridadr
- 2811
- hs_code
- 29222900
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic/Irritant
- safety_code
- 22-24/25-36/37/39-26-36
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302+H312
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 Oral
- Precautionary statements
- P280-P301+P312+P330-P302+P352+P312
Chemistry & industry
Pharmacology
Uses & manufacturing
Applications
Uses3,4-Dimethoxyaniline is commonly used as fine chemicals, used for pharmaceutical intermediates.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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