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CAS No.: | 101-96-2 |
---|---|
Name: | N,N'-Bis(1-methylpropyl)-1,4-phenylenediamine |
Molecular Structure: | |
Formula: | C14H24N2 |
Molecular Weight: | 220.358 |
Synonyms: | Sumilizer BPAM 1;Tenamene2;Topanol M;UOP 5;Unilink 4100;1,4-Benzenediamine,N,N'-bis(1-methylpropyl)- (9CI);p-Phenylenediamine, N,N'-di-sec-butyl- (8CI);1,4-Bis-(sec-butylamino)benzene;Antioxidant 22;Cerobit BPD;Du Pont GasolineAntioxidant No. 22;Ethanox 4720;Kerobit BPD;N,N'-Bis(1-methylpropyl)-1,4-benzenediamine;N,N'-Di-sec-butyl-1,4-phenylenediamine;N,N'-Di-sec-butyl-n-phenylenediamine;N,N'-Di-sec-butyl-p-phenyldiamine;N,N'-Di-sec-butyl-p-phenylenediamine;NSC68417;Naugalube 403;Santoflex 44;Sumilizer BPA; |
EINECS: | 202-992-2 |
Density: | 0.942 g/cm3 |
Melting Point: | 17.8 °C |
Boiling Point: | 343.2 °C at 760 mmHg |
Flash Point: | 192.6 °C |
Solubility: | H2O: <0.1 g/100 mL at 20 °C |
Appearance: | dark red liquid |
Hazard Symbols: | C,N,T |
Risk Codes: | 25-34-43-50/53 |
Safety: | 26-36/37/39-45-61 |
Transport Information: | UN 2922 |
PSA: | 24.06000 |
LogP: | 4.25340 |
Conditions | Yield |
---|---|
With copper oxide-chromium oxide at 180℃; under 36775.4 Torr; Hydrogenation; | |
With platinum on activated charcoal at 160℃; under 29420.3 - 36775.4 Torr; Hydrogenation; |
N-sec-butyl-4-phenylazo-aniline
butanone
N,N'-di-sec-butyl p-phenylenediamine
Conditions | Yield |
---|---|
With platinum on activated charcoal at 160℃; under 73550.8 Torr; Hydrogenation; |
N-sec-butyl-N-nitroso-4-phenylazo-aniline
butanone
N,N'-di-sec-butyl p-phenylenediamine
Conditions | Yield |
---|---|
With platinum on activated charcoal at 160℃; under 73550.8 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
With sodium tris(acetoxy)borohydride; acetic acid In dichloromethane at 0 - 30℃; Temperature; Inert atmosphere; |
N,N'-di-sec-butyl p-phenylenediamine
A
N-(sec-butyl)-4-nitroaniline
B
[1,4]benzoquinone-bis-(N-sec-butyl oxime )
Conditions | Yield |
---|---|
With Perbenzoic acid |
N,N'-di-sec-butyl p-phenylenediamine
N,N′-di-sec-butyl-N,N′-dinitroso-1,4-phenylenediamine
Conditions | Yield |
---|---|
With hydrogenchloride; sodium nitrite | |
With hydrogenchloride; sodium nitrite In water; hexan-1-ol at 20 - 40℃; for 2h; |
pyrocatechol phosphorochloridite
N,N'-di-sec-butyl p-phenylenediamine
N,N'-bis-benzo[1,3,2]dioxaphosphol-2-yl-N,N'-di-sec-butyl-benzene-1,4-diamine
Conditions | Yield |
---|---|
With triethylamine In benzene |
d,l-2-ethylhexanal
N,N'-di-sec-butyl p-phenylenediamine
sodium tris(acetoxy)borohydride
sodium hydrogencarbonate
N,N'-di-sec-butyl-N,N'-di-(2-ethylhexyl)-p-phenylenediamine
Conditions | Yield |
---|---|
In n-heptane; dichloromethane |
Conditions | Yield |
---|---|
In toluene at 80℃; for 2h; Reflux; Inert atmosphere; |
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The N,N'-Di-sec-butyl-p-phenyldiamine, with the CAS registry number 101-96-2, is also known as p-Phenylenediamine, N,N'-di-sec-butyl-. It belongs to the product categories of Amines; C11 to C38; Nitrogen Compounds. Its EINECS registry number is 202-992-2. This chemical's molecular formula is C14H24N2 and molecular weight is 220.353760. Its IUPAC name is called 1-N,4-N-di(butan-2-yl)benzene-1,4-diamine.
Physical properties of N,N'-Di-sec-butyl-p-phenyldiamine: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 0.98; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 12.1; (6)ACD/KOC (pH 5.5): 6.4; (7)ACD/KOC (pH 7.4): 90.58; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 73.18 cm3; (13)Molar Volume: 228.1 cm3; (14)Surface Tension: 35.9 dyne/cm; (15)Density: 0.965 g/cm3; (16)Flash Point: 192.6 °C; (17)Enthalpy of Vaporization: 58.71 kJ/mol; (18)Boiling Point: 343.2 °C at 760 mmHg; (19)Vapour Pressure: 7.15E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)NC1=CC=C(C=C1)NC(C)CC
(2)InChI: InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
(3)InChIKey: FSWDLYNGJBGFJH-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | skin | 5gm/kg (5000mg/kg) | Rubber Chemistry and Technology. Vol. 45, Pg. 627, 1972. | |
mammal (species unspecified) | LD50 | intraperitoneal | 10mL/kg (10mL/kg) | International Polymer Science and Technology. Vol. 3, Pg. 93, 1976. | |
rabbit | LD50 | skin | 2806mg/kg (2806mg/kg) | BEHAVIORAL: TREMOR KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0555010, |
rat | LCLo | inhalation | 600mg/m3/6H (600mg/m3) | Kodak Company Reports. Vol. 21MAY1971, | |
rat | LD50 | oral | 148mg/kg (148mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION | National Technical Information Service. Vol. OTS0555010 |