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| CAS No.: | 101-72-4 |
|---|---|
| Name: | N-Isopropyl-N'-phenyl-1,4-phenylenediamine |
| Molecular Structure: | |
|
|
|
| Formula: | C15H18N2 |
| Molecular Weight: | 226.321 |
| Synonyms: | N-Isopropyl-N'-phenyl-1,4-phenylenediamine;Dusantox IPPD;Flexzone 3C;N-(1-Methylethyl)-N'-phenyl-1,4-benzenediamine;N-2-Propyl-N'-phenyl-p-phenylenediamine;N-Isopropyl-N'-phenyl-1,4-benzenediamine;N-Isopropyl-N'-phenyl-p-phenyldiamine;N-Isopropyl-N'-phenyl-p-phenylenediamine;N-Phenyl-N1-isopropyl-p-phenylenediamine;N-Phenyl-N'-isopropyl-p-phenylenediamine;NA 4010;NSC 41029;Naugard I 4;Nocrac 3C;Nocrac 810MA;Nocrac 810NA;Nonox ZA;Orflex PP;Ozonone 3C;Permanax 115;Permanax IPPD;Santoflex 36;Santoflex IP;Santoflex IPPD;Vulkanox 4010NA;Vulkanox 4010NA-LG;Vulkanox 4020NA;Diaphene FP; |
| EINECS: | 202-969-7 |
| Density: | 1.086 g/cm3 |
| Melting Point: | 72-76 °C |
| Boiling Point: | 378.4 °C at 760 mmHg |
| Flash Point: | 230.9 °C |
| Solubility: | <0.1 g/100 mL at 18 °C in water |
| Appearance: | dark grey to black solid |
| Hazard Symbols: |
 Xi, N, Xn
|
| Risk Codes: | 36/37/38-50/53-43-22 |
| Safety: | 26-36-61-60-37-24 |
| Transport Information: | UN 3077 |
| PSA: | 24.06000 |
| LogP: | 4.39650 |
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Chemistry
Molecule structure of N-Isopropyl-N'-phenyl-1,4-phenylenediamine (CAS NO.101-72-4):
IUPAC Name: 4-N-Phenyl-1-N-propan-2-ylbenzene-1,4-diamine
Molecular Weight: 226.31682 g/mol
Molecular Formula: C15H18N2
Density: 1.086 g/cm3
Melting Point: 72-76°C
Boiling Point: 378.4 °C at 760 mmHg
Flash Point: 230.9 °C
Index of Refraction: 1.633
Molar Refractivity: 74.46 cm3
Molar Volume: 208.3 cm3
Surface Tension: 43.9 dyne/cm
Enthalpy of Vaporization: 62.63 kJ/mol
Vapour Pressure: 6.31E-06 mmHg at 25 °C
Water Solubility: <0.1 g/100 mL at 18 °C
XLogP3: 4
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 226.146999
MonoIsotopic Mass: 226.146999
Topological Polar Surface Area: 24.1
Heavy Atom Count: 17
Canonical SMILES: CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI: InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
InChIKey: OUBMGJOQLXMSNT-UHFFFAOYSA-N
EINECS: 202-969-7
Product Categories: ANTIDEGRADANTS
Uses
N-Isopropyl-N'-phenyl-1,4-phenylenediamine (CAS NO.101-72-4) is natural rubber, synthetic rubber and latex excellent general-purpose antioxidant. It is commonly used in the manufacture of dynamic and static stress to withstand the higher products, such as aircraft and automobile tires, bicycle tire, cable, hose, tape, glue rollers and other industrial rubber products. The goods are polluting, not used for light-colored rubber products.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1122mg/kg (1122mg/kg) | Kobunshi Kako. Polymer Applications. Vol. 26, Pg. 438, 1977. | |
| rabbit | LD | oral | > 7500mg/kg (7500mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. | |
| rat | LD50 | oral | 720mg/kg (720mg/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. |
Safety Profile
Hazard Codes: 
Xi, 
N, 
Xn
Risk Statements: 36/37/38-50/53-43-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R43:May cause sensitization by skin contact.
R22:Harmful if swallowed.
Safety Statements: 26-36-61-60-37-24
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S60:This material and its container must be disposed of as hazardous waste.
S37:Wear suitable gloves.
S24:Avoid contact with skin.
RIDADR: 3077
RTECS: ST2650000
Hazard Note: Irritant
PackingGroup: III
Specification
N-Isopropyl-N'-phenyl-1,4-phenylenediamine (CAS NO.101-72-4) is also named as 1,4-Benzenediamine, N-(1-methylethyl)-N'-phenyl- ; 4-13-00-00115 (Beilstein Handbook Reference) ; 4-Anilino-N-isopropylaniline ; 4-Isopropylaminodiphenylamine ; 4010 NA ; 4010NA ; ASM 4010MA ; ASM 4010ma ; Antigene 3C ; Antioxidant 4010 NA ; Antioxidant 4010NA ; Antioxidant IP ; BRN 2213195 ; CCRIS 4833 ; Cyzone ; Cyzone IP ; Diafen FP ; Diaphen FP ; Elastozone 34 ; Flexzone 3C ; HSDB 5342 ; IPPD ; Ipognox 44 ; N-2-Propyl-N'-phenyl-p-phenylenediamine ; N-Fenyl-N'-isopropyl-p-fenylendiamin ; N-Fenyl-N'-isopropyl-p-fenylendiamin [Czech] ; N-Isopropyl-N'-fenyl-p-fenylendiamin ; N-Isopropyl-N'-fenyl-p-fenylendiamin [Czech] ; N-Isopropyl-N'-phenyl-p-phenylenediamine ; N-Isopropyl-N'-phenyl-para-phenylenediamine ; N-Phenyl-N'-isopropyl-1,4-phenylenediamine ; N-Phenyl-N'-isopropyl-p-phenylenediamine ; Santoflex IP ; p-Phenylenediamine, N-isopropyl-N'-phenyl- ; para-Isopropylaminodiphenylamine . N-Isopropyl-N'-phenyl-1,4-phenylenediamine (CAS NO.101-72-4) is dark grey to black solid with an aromatic odor. It may be sensitive to heat, air, light and moisture during long term storage. It is insoluble in water. N-Isopropyl-N'-phenyl-1,4-phenylenediamine reacts with oxidizing agents. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. N-Isopropyl-N'-phenyl-1,4-phenylenediamine is combustible.