Basic information
- CAS
93-45-8- Standard SMILES
Oc1ccc(Nc2ccc3ccccc3c2)cc1- InChIKey
RACMGQBQYYWANW-UHFFFAOYSA-N- Molecular formula
- C16H13NO
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.09971404
Overview
4-(2-naphthylamino)phenol is a purple solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 4-(2-Naphthylamino)phenol
- IUPAC
- 4-(naphthalen-2-ylamino)phenol
- English name
- N-(4-Hydroxyphenyl)-2-naphthylamine, 97
- Molecular formula
- C16H13NO
- Molecular weight
- 235.28
Names & synonyms
4-(2-NAPHTHYLAMINO)PHENOLp-OxinozonPhenol, 4-(2-naphthalenylamino)-p-(2-Naphthylamino)phenol4-(2-Naphthalenylamino)phenolCCRIS 6073N-p-Hydroxyphenyl-2-naphthylamineN-p-Hydroxyphenyl-beta-naphthylamineEINECS 202-248-7BRN 1642793PARAOXYNEOZONE391R4KT1XJ
Show more names
p-Oxyneozonep-HydroxyneozonParaoxyneozone.p-HydroxyneozoneC.I.Sulphur Black 6Sulphur Vat Black CLG4-(2-Naftylamino)fenol4-(2-Naphtylamino)phenol
NSC-15372NSC-21065UNII-391R4KT1XJDTXSID8025701Phenol, 4-(2-naphthylamino)-3-13-00-01031 (Beilstein Handbook Reference)NAPHTHYLAMINO)PHENOL, 4-(2-RefChem:97073
Database identifiers
- CAS
93-45-8- PubChem CID
- 7141
- DTXSID
DTXSID8025701- ChEMBL
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Physical Description4-(2-naphthylamino)phenol is a purple solid. (NTP, 1992)
Physicochemical properties
- Melting point
- 139 · 139-142 °C(lit.)
- Boiling point
- 377.68 °C · 377.68°C (rough estimate)
- Density
- 1.0711 · 1.0711 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 10.74 · 10.74±0.26(Predicted)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- FDA UNII
- 391 R4KT1XJ · 391R4KT1XJ
- EPA Substance Registry System
- p-(2-Naphthylamino)phenol (93-45-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
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
H312 (97.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases. Such heating may initiate polymerization of the organic compound. Phenols are sulfonated very readily (for example, by concentrated sulfuric acid at room temperature). The reactions generate heat. Phenols are also nitrated very rapidly, even by dilute nitric acid.
Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. Insoluble in water.
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-(2-naphthalenylamino)-: INACTIVE
Applications
General DescriptionPurple solid.
Upstream & downstream products
Upstream raw materials
Suppliers23 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司
Related reactions
3 records
Compound notes
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