Basic Information | Post buying leads | Suppliers |
Name |
Methyl red hydrochloride |
EINECS | 264-190-9 |
CAS No. | 63451-28-5 | Density | N/A |
PSA | 65.26000 | LogP | 4.66820 |
Solubility | N/A | Melting Point |
175 °C (dec.)(lit.) |
Formula | C15H16ClN3O2 | Boiling Point | 479.5 °C at 760 mmHg |
Molecular Weight | 305.76 | Flash Point | 243.8 °C |
Transport Information | N/A | Appearance | blue to black powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzoicacid, 2-[[4-(dimethylamino)phenyl]azo]-, monohydrochloride (9CI);2-{[4-(Dimethylamino)phenyl]diazenyl}benzoic acid hydrochloride (1:1); |
The Methyl red hydrochloride, with the CAS registry number 63451-28-5, is also known as 2-{[4-(Dimethylamino)phenyl]diazenyl}benzoic acid hydrochloride (1:1). Its EINECS registry number is 264-190-9. This chemical's molecular formula is C15H16ClN3O2 and molecular weight is 305.76. What's more, its IUPAC name is 2-[[4-(Dimethylamino)phenyl]diazenyl]benzoic acid hydrochloride. In addition, it must be stored in airtight containers and placed in a dry, cool place at room temperature. During using it, you should avoid contacting with skin and eyes.
Physical properties about Methyl red hydrochloride are: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.15; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 54.64; (6)ACD/BCF (pH 7.4): 2.93; (7)ACD/KOC (pH 5.5): 192.16; (8)ACD/KOC (pH 7.4): 10.3; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 54.26 Å2; (13)Flash Point: 243.8 °C; (14)Enthalpy of Vaporization: 78.36 kJ/mol; (15)Boiling Point: 479.5 °C at 760 mmHg; (16)Vapour Pressure: 5.27E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.O=C(O)c2ccccc2/N=N/c1ccc(N(C)C)cc1
(2) InChI: InChI=1/C15H15N3O2.ClH/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);1H/b17-16+;
(3) InChIKey: ICTWKXAVJAHRMK-CMBBICFIBP