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| CAS No.: | 938-25-0 |
|---|---|
| Name: | 1,2-DIAMINONAPHTHALENE |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C10H10N2 |
| Molecular Weight: | 158.203 |
| Synonyms: | 1,2-Diaminonaphthalene;NSC 62691; |
| Density: | 1.234 g/cm3 |
| Melting Point: | 92-94°C |
| Boiling Point: | 363.7 °C at 760 mmHg |
| Flash Point: | 207.2 °C |
| Appearance: | brown solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-40 |
| Safety: | 36/37 |
| PSA: | 52.04000 |
| LogP: | 3.16660 |
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Specification
This chemical is called 1,2-Naphthalenediamine, and its systematic name is naphthalene-1,2-diamine. With the molecular formula of C10H10N2, its molecular weight is 158.20. The CAS registry number of this chemical is 938-25-0. Additionally, its product categories are Aldehyde Labeling Reagents; Aromatics.
Other characteristics of the 1,2-Naphthalenediamine can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 4.94; (6)ACD/BCF (pH 7.4): 5.55; (7)ACD/KOC (pH 5.5): 105.65; (8)ACD/KOC (pH 7.4): 118.68; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.757; (14)Molar Refractivity: 52.56 cm3; (15)Molar Volume: 128.1 cm3; (16)Polarizability: 20.83×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.234 g/cm3; (19)Flash Point: 207.2 °C; (20)Enthalpy of Vaporization: 60.98 kJ/mol; (21)Boiling Point: 363.7 °C at 760 mmHg; (22)Vapour Pressure: 1.77E-05 mmHg at 25°C.
Production method of this chemical: The 1,2-Naphthalenediamine could be obtained by the reactant of 2-nitro-[1]naphthylamine. This reaction needs the reagent of hydrochloride of tin dichloride.
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Uses of this chemical: The 1,2-Naphthalenediamine could react with 1H,1'H-1,1'-carbonyl-bis-imidazole, and obtain the 1,3-dihydro-naphtho[1,2-d]imidazol-2-one. This reaction needs the solvent of tetrahydrofuran. The yield is 80 %. In addition, this reaction should be taken for 3 days.
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You can still convert the following datas into molecular structure:
1.SMILES: c2c1ccccc1c(N)c(N)c2
2.InChI: InChI=1/C10H10N2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H,11-12H2
3.InChIKey:NTNWKDHZTDQSST-UHFFFAOYAM
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | subcutaneous | 167mg/kg (167mg/kg) | Zeitschrift fuer Experimentelle Pathologie und Therapie. Vol. 17, Pg. 59, 1915. |