Basic information
- CAS
101-73-5- Standard SMILES
CC(C)Oc1ccc(Nc2ccccc2)cc1- InChIKey
CVVFFUKULYKOJR-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Overview
P-isopropoxydiphenylamine appears as dark gray flakes or flaky black solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 4-Isopropoxydiphenylamine
- IUPAC
- N-phenyl-4-propan-2-yloxyaniline
- English name
- 4-Hydroxydiphenylamine isopropyl ether
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
p-Isopropoxydiphenylamine4-ISOPROPOXYDIPHENYLAMINE4-Isopropoxy-N-phenylanilineBenzenamine, 4-(1-methylethoxy)-N-phenyl-CCRIS 6052HSDB 2874EINECS 202-970-2UNII-259SIX2B44BRN 2647119AI3-14321259SIX2B44ISOPROPOXYDIPHENYLAMINE, P-
Show more names
agerite150ageriteiso4-isopropoxy-diphenylaminisopropoxyphenyl-4-aniline4-isopropyloxydiphenylaminePARA-ISOPROPOXYDIPHENYLAMINEDiphenylamine, 4-isopropoxy.p-Isopropoxy-N-phenylaniline
NSC-3050NSC-404958DTXSID20207633-13-00-01021 (Beilstein Handbook Reference)4-ISOPROPOXYDIPHENYLAMINE [HSDB]pIsopropoxydiphenylamineIsopropoxyphenyl4anilineRefChem:99497
Database identifiers
- CAS
101-73-5- PubChem CID
- 7574
- DTXSID
DTXSID2020763
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
PolymersNitrogen Compounds -> Amines, Polyaromatic
Density
1.1 (NTP, 1992) - Denser than water; will sink
1.10
Color/FormDARK GRAY FLAKES
Solubility
less than 1 mg/mL at 70 °F (NTP, 1992)
INSOL IN WATER; SOL IN ACETONE, BENZENE, GASOLINE, ETHYL ALCOHOL
Melting Point172 to 176 °F (NTP, 1992)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
P-isopropoxydiphenylamine appears as dark gray flakes or flaky black solid. (NTP, 1992)
Dark gray solid; [HSDB]
Physicochemical properties
- Boiling point
- 369.02 °C · 369.02°C (rough estimate)
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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 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 chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Hazards SummaryAn irritant; Possible skin sensitizer based on sensitizing chemicals with similar structures; Harmful if swallowed or inhaled; [Aldrich MSDS] See Diphenylamine.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
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.
Air and Water ReactionsInsoluble in water.
Chemistry & industry
Uses & manufacturing
Uses
Used as a rubber antioxidant; [HSDB]
RUBBER ANTIOXIDANT
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1973) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Consumption PatternsESSENTIALLY 100% AS RUBBER ANTIOXIDANT
Methods of ManufacturingREACTION OF 4-HYDROXYDIPHENYLAMINE WITH PROPYLENE IN THE PRESENCE OF SULFURIC, PHOSPHORIC OR HYDROFLUORIC ACID
General Manufacturing Information
Benzenamine, 4-(1-methylethoxy)-N-phenyl-: ACTIVE
PURITY 92% (MIN); ASH 0.10% (MAX).
Applications
UsesRubber antioxidant.
General DescriptionDark gray flakes or flaky black solid.
Suppliers1 total
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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