Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
6-Benzoxazolamine |
EINECS | N/A |
CAS No. | 177492-52-3 | Density | 1.317 g/cm3 |
PSA | 52.05000 | LogP | 1.99120 |
Solubility | Slightly soluble in water. | Melting Point |
88 °C |
Formula | C7H6N2O | Boiling Point | 282.296 °C at 760 mmHg |
Molecular Weight | 134.137 | Flash Point | 124.528 °C |
Transport Information | UN 2811 | Appearance | N/A |
Safety | 22-26-36/37/39 | Risk Codes | 20/21/22-36/37/38 |
Molecular Structure | Hazard Symbols | R20/21/22-36/37/38:; | |
Synonyms |
(Benzoxazol-6-yl)amine;6-Aminobenzoxazole;1,3-benzoxazol-6-amine;6-Aminobenzoxazole; |
Article Data | 9 |
The 6-Benzoxazolamine, with the CAS registry number 177492-52-3, has the systematic name of 1,3-benzoxazol-6-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H6N2O.
The characteristics of 6-Benzoxazolamine are as followings: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.549; (4)ACD/LogD (pH 7.4): 0.549; (5)ACD/BCF (pH 5.5): 1.538; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.351; (8)ACD/KOC (pH 7.4): 47.405; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.05 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 38.722 cm3; (15)Molar Volume: 101.848 cm3; (16)Polarizability: 15.351×10-24cm3; (17)Surface Tension: 61.374 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 124.528 °C; (20)Enthalpy of Vaporization: 52.115 kJ/mol; (21)Boiling Point: 282.296 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; 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.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc2c(cc1N)ocn2
(2)InChI: InChI=1/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
(3)InChIKey: ZJYIRVSPPOOPCL-UHFFFAOYAT