3-Amino-p-cresol
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Basic information
- CAS
2836-00-2- Standard SMILES
Cc1ccc(O)cc1N- InChIKey
NUNAWQZKZVVELQ-UHFFFAOYSA-N- Molecular formula
- C7H9NO
- Average molar mass
- 123.15 g/mol
- Monoisotopic mass
- 123.06841391
Overview
Crystals. (NTP, 1992)
Names & identifiers
- Preferred name
- 3-Amino-p-cresol
- IUPAC
- 3-amino-4-methylphenol
- English name
- 3-Amino-4-methylphenol
- Molecular formula
- C7H9NO
- Molecular weight
- 123.15
Names & synonyms
3-AMINO-4-METHYLPHENOL2836-00-22-Amino-4-hydroxytoluenePhenol, 3-amino-4-methyl-3-Amino-p-cresolp-Cresol, 3-amino-EINECS 220-622-8DTXSID30748603A4MP5Hydroxyotoluidine3Amino4methylphenol2Amino4hydroxytoluene
Show more names
m-Amino-p-cresol3-azanyl-4-methyl-phenol3-Amino-4-Methylphenol 98%
Phenol, 3amino4methylRefChem:4976865-HYDROXY-O-TOLUIDINEDTXCID0037811220-622-83-Amino-4-methyl-phenolMFCD000750835-hydroxy-2-methylaniline
Database identifiers
- CAS
2836-00-2- PubChem CID
- 17820
- DTXSID
DTXSID3074860- EC Number
- 220-622-8
- Nikkaji
- J13.737E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Phenols
Boiling PointSublimes (NTP, 1992)
Melting Point313 to 315 °F (NTP, 1992)
Physical Description
Crystals. (NTP, 1992)
Solid; [CAMEO]
Physicochemical properties
- Melting point
- 156 · 156-157°C
- Boiling point
- 229.26 °C · 229.26°C (rough estimate)
- Density
- 1.0877 · 1.0877 (rough estimate)
- refractive index
- 1.5706 · 1.5706 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder to crystal
- pka
- 10.32 · 10.32±0.18(Predicted)
- color
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (97%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 33 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes and mucous membranes.
Hazards SummaryMay cause skin, eye, and mucous membrane irritation; [CAMEO] A local irritant; [NTP] An irritant; [Apollo Scientific MSDS] See Cresol, all isomers and o-Toluidine.
Reactive GroupPhenols and Cresols
Reactivity Profile3-AMINO-4-METHYLPHENOL reacts with strong oxidizing agents. (NTP, 1992)
Air and Water ReactionsIt may be sensitive to prolonged exposure to air.
Hazard Classes and CategoriesSkin Irrit. 2 (97%)
Safety & protection
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate for dyestuffs; [NTP]
Applications
General DescriptionCrystals.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
57 records
Compound notes
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