Products Categories
CAS No.: | 54381-08-7 |
---|---|
Name: | HC Orange 1 |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H10N2O3 |
Molecular Weight: | 230.223 |
Synonyms: | 4'-Hydroxy-2-nitrodiphenylamine;HC Orange No. 1;N-(4-Hydroxyphenyl)-2-nitroaniline; |
EINECS: | 259-132-4 |
Density: | 1.388 g/cm3 |
Melting Point: | 143-145 °C |
Boiling Point: | 384.9 °C at 760 mmHg |
Flash Point: | 186.6 °C |
Appearance: | Orange crystal powder |
PSA: | 78.08000 |
LogP: | 3.64020 |
The Phenol,4-[(2-nitrophenyl)amino]-, also known as HC Orange no. 1, is an organic compound with the formula C12H10N2O3. Its EINECS registry number is 259-132-4. With the CAS registry number 54381-08-7, its IUPAC name is 4-(2-nitroanilino)phenol. It is an orange crystal powder.
Physical properties of Phenol,4-[(2-nitrophenyl)amino]-: (1)ACD/LogP: 3.25; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Index of Refraction: 1.699; (6)Molar Refractivity: 64.05 cm3; (7)Molar Volume: 165.7 cm3; (8)Surface Tension: 65.2 dyne/cm; (9)Density: 1.388 g/cm3; (10)Flash Point: 186.6 °C; (11)Enthalpy of Vaporization: 65.84 kJ/mol; (12)Boiling Point: 384.9 °C at 760 mmHg; (13)Vapour Pressure: 1.79E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)NC2=CC=C(C=C2)O)[N+](=O)[O-]
(2)InChI: InChI=1S/C12H10N2O3/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(16)17/h1-8,13,15H
(3)InChIKey: HSDSBIUUVWRHTM-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 5gm/kg (5000mg/kg) | International Journal of Toxicology. Vol. 17(Suppl, |