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| CAS No.: | 90-30-2 |
|---|---|
| Name: | N-Phenyl-1-naphthylamine |
| Molecular Structure: | |
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|
|
| Formula: | C16H13N |
| Molecular Weight: | 219.286 |
| Synonyms: | 1-Naphthylamine,N-phenyl- (7CI,8CI);1-(N-Phenylamino)naphthalene;1-(Phenylamino)naphthalene;1-Anilinonaphthalene;1-Naphthylphenylamine;Amoco 32;Antigene PA;AntioxidantA;Antioxidant PAN;C.I. 44050;Irganox L 05;N-(1-Naphthyl)-N-phenylamine;N-(1-Naphthyl)aniline;N-Phenyl-a-naphthylamine;NSC 2622;Naugard PANA;Neozone A;Nocrac PA;Nonox A;Nonox AN;PANA;Phenyl-1-naphthylamine;T 531;T 531 (antioxidant);VulkanoxPAN;a-Naphthylphenylamine; |
| EINECS: | 201-983-0 |
| Density: | 1.157 g/cm3 |
| Melting Point: | 60-62 °C(lit.) |
| Boiling Point: | 370.714 °C at 760 mmHg |
| Flash Point: | 190.239 °C |
| Solubility: | insoluble in water |
| Appearance: | brown solid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-36/37/38-50/53 |
| Safety: | 26-36-61-37/39-29 |
| PSA: | 12.03000 |
| LogP: | 4.65640 |
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Consensus Reports
Specification
The N-phenyl-1-naphthylamine, with the cas registry number 90-30-2, has the IUPAC name which is N-phenylnaphthalen-1-amine. This is a kind of white to light yellow crystal and is soluble in ethanol, ethyl ether, benzene, carbon disulfide, acetone, chloroform while insoluble in water. Its product categories are various, including Rubber Chemicals; Industrial/Fine Chemicals; Organics. Besides, it may sensitive when prolonged exposed to air.
The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 916.2; (6)ACD/BCF (pH 7.4): 916.22; (7)ACD/KOC (pH 5.5): 4589.76; (8)ACD/KOC (pH 7.4): 4589.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24; (13)Index of Refraction: 1.702; (14)Molar Refractivity: 73.46 cm3; (15)Molar Volume: 189.5 cm3; (16)Polarizability: 29.12 ×10-24 cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 190.2 °C; (20)Enthalpy of Vaporization: 61.76 kJ/mol; (21)Boiling Point: 370.7 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-05 mmHg at 25°C; (23)Exact Mass: 219.104799; (24)MonoIsotopic Mass: 219.104799; (25)Topological Polar Surface Area: 12; (26)Heavy Atom Count: 17; (27)Formal Charge: 0; (28)Complexity: 232.
The production method of this chemical is as below: azidobenzene could react with naphthalene to produce N-phenyl-1-naphthylamine, with the following condition: reagent: trifluoromethanesulphonic acid; other condition: Ambient temperature; yield: 78%.
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The use of this chemical is as below: acetic acid could react with N-phenyl-1-naphthylamine to produce 7-methyl-benzo[c]acridine, with the following condition: reagent: zinc chloride.
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As to its usage, it is widely applied in many ways. It is a kind of aromatic secondary amine antiager and also could be the reclaimed rubber popular type antiager, such as natural rubber, dienes synthesis rubber, CR rubber; It could also mix with other antiager to use.
When you are dealing with this chemical, you should be very careful and then take some measures to protect yourself. For one thing, it is harmful which may cause damage to health. It is irritating to eyes, respiratory system and skin and if swallowed, it will be very dangerous. For another thing, it is dangerous for the environment which may present an immediate or delayed danger to one or more components of the environment. Being very toxic to aquatic organisms, it may cause long-term adverse effects in the aquatic environment. Therefore, we should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. And then avoid releasing to the environment, with refering to special instructions/safety data sheet. Lastly, do not empty into drains.
Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32
(2)InChI: InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-
12,17H
(3)InChIKey: XQVWYOYUZDUNRW-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1231mg/kg (1231mg/kg) | Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974, | |
| rabbit | LDLo | skin | 8gm/kg (8000mg/kg) | LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" | National Technical Information Service. Vol. OTS0535072, |
| rat | LD50 | oral | 1625mg/kg (1625mg/kg) | Aerospace Medical Research Laboratory Report. Vol. TR-74-78, Pg. 1974 |