Products Categories
CAS No.: | 76058-33-8 |
---|---|
Name: | ETHYL RED |
Molecular Structure: | |
Formula: | C17H19N3O2 |
Molecular Weight: | 297.357 |
Synonyms: | Benzoicacid, 2-[[4-(diethylamino)phenyl]azo]- (9CI);2-[4-(Diethylamino)phenylazo]benzoic acid;Ethyl Red;NSC 260474;2-[[4-(diethylamino)phenyl]diazenyl]benzoic acid;2-{(E)-[4-(diethylamino)phenyl]diazenyl}benzoic acid;benzoic acid, 2-[(E)-2-[4-(diethylamino)phenyl]diazenyl]-;2-(4-Diethylaminophenylazo)benzoic acid;4-(Diethylamino)azobenzene-2'-carboxylic acid; |
EINECS: | 999-999-2 |
Density: | 1.13 g/cm3 |
Melting Point: | 135 °C |
Boiling Point: | 496.9 °C at 760 mmHg |
Flash Point: | 254.3 °C |
Appearance: | dark red powder |
Hazard Symbols: | Xn |
Risk Codes: | 32-20/21 |
Safety: | 22-24/25 |
PSA: | 65.26000 |
LogP: | 4.64640 |
The Benzoic acid,2-[2-[4-(diethylamino)phenyl]diazenyl]-, with the CAS registry number 76058-33-8, has the systematic nane of 2-{(E)-[4-(diethylamino)phenyl]diazenyl}benzoic acid. It is a kind of dark red powder. And the molecular formula of the chemical is C17H19N3O2.
The characteristics of Benzoic acid,2-[2-[4-(diethylamino)phenyl]diazenyl]- are as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 279.21; (6)ACD/BCF (pH 7.4): 19.16; (7)ACD/KOC (pH 5.5): 578.78; (8)ACD/KOC (pH 7.4): 39.72; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 87.19 cm3; (15)Molar Volume: 262.2 cm3; (16)Polarizability: 34.56×10-24cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 254.3 °C; (20)Enthalpy of Vaporization: 80.53 kJ/mol; (21)Boiling Point: 496.9 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-10 mmHg at 25°C.
You should be cautious while dealing with this chemical. If contacting with acids, it liberates very toxic gas. And it is also harmful by inhalation and in contact with skin. Therefore, you had better take the following instructions: Do not breathe dust, and avoid contacting with skin and eyes.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2ccccc2/N=N/c1ccc(N(CC)CC)cc1
(2)InChI: InChI=1/C17H19N3O2/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22/h5-12H,3-4H2,1-2H3,(H,21,22)/b19-18+
(3)InChIKey: HBRCDTRQDHMTDA-VHEBQXMUBS