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Name |
Benzenamine, N-phenyl-,hydrochloride (1:1) |
EINECS | 208-675-5 |
CAS No. | 537-67-7 | Density | 1.088 g/cm3 |
PSA | 12.03000 | LogP | 4.30520 |
Solubility | N/A | Melting Point |
180 °C |
Formula | C12H12ClN | Boiling Point | 302 °C at 760 mmHg |
Molecular Weight | 205.687 | Flash Point | 152.8 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzenamine,N-phenyl-, hydrochloride (9CI);Diphenylamine, hydrochloride (8CI);Diphenylammonium chloride;N-Phenylaniline hydrochloride; |
Article Data | 10 |
The Benzenamine, N-phenyl-,hydrochloride (1:1), with the CAS registry number 537-67-7, is also known as Diphenylamine hydrochloride. Its EINECS number is 208-675-5. This chemical's molecular formula is C12H12ClN and molecular weight is 205.68. What's more, its systematic name is N-phenylaniline hydrochloride. It should be sealed and stored in a cool and dry place. What's more, it should be protected from light.
Physical properties of Benzenamine, N-phenyl-,hydrochloride (1:1) are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.33; (6)ACD/BCF (pH 7.4): 106.33; (7)ACD/KOC (pH 5.5): 982.4; (8)ACD/KOC (pH 7.4): 982.42; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 152.8 °C; (14)Enthalpy of Vaporization: 54.22 kJ/mol; (15)Boiling Point: 302 °C at 760 mmHg; (16)Vapour Pressure: 0.00102 mmHg at 25°C.
Uses of Benzenamine, N-phenyl-,hydrochloride (1:1): it can be used to produce C19H16N2O·ClH by heating. It will need solvent dioxane. The yield is about 97%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immiediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2.Cl
(2)InChI: InChI=1S/C12H11N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-10,13H;1H
(3)InChIKey: JEFJSEIUEJBMSR-UHFFFAOYSA-N