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CAS No.: | 2814-77-9 |
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Name: | Pigment Red 4 |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C16H10ClN3O3 |
Molecular Weight: | 327.727 |
Synonyms: | 2-Naphthalenol,1-[(2-chloro-4-nitrophenyl)azo]- (9CI);2-Naphthol,1-(2-chloro-4-nitrophenylazo)- (6CI);C.I. Pigment Red 4 (7CI,8CI);1-(2-Chloro-4-nitrophenylazo)-2-naphthol;1-(o-Chloro-p-nitrophenylazo)-2-naphthol;ADC Permanent Red Toner R;American Vermilion;C-Red 1;C.I. 12085;Carnelio Red R;Chlorparanitraniline Red;D and C Red No. 36;C Red No. 36;Dainichi Permanent Red RX;Duplex Permaton Red L 20-7022;Fast Orange 3R;Fast Orange 3RJ;Fastona Red R;Fire Red Toner;Flame Tones;Glo-blaze Red R 152;Irgalite Red PRR;Isol Fast Red R;Isol Fast Red RG;Kromon RedR;Latexol Red J;Lutetia Fast Orange 3R;Monolite Fast RedG;Monolite Fast Red GF;No. 1 Forthfast Red R;Permanent Red BFR;Permanent Red R;Permanent Red R Extra;Permanent Red Toner R;Permaton Red;Pigment Scarlet Zh;Pyrotone Red Toner RA 5520;Red Extract R;Red No. 228;Rubber Red R Extra;Segnale Light Red PRG;Silopol Red G;Siloton Red 2G;SytonFast Red R;Tanager Red X 761;Vulcafor Orange R; |
EINECS: | 220-562-2 |
Density: | 1.45 g/cm3 |
Melting Point: | 276oC |
Boiling Point: | 558.9 °C at 760 mmHg |
Flash Point: | 291.8 °C |
Appearance: | salmon pink powder |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 90.77000 |
LogP: | 6.04560 |
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
The 1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol, with the CAS registry number 2814-77-9 and EINECS registry number 220-562-2, has the IUPAC name and systematic name of 1-[(E)-(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol. It is a kind of salmon pink powder, and belongs to the following product categories: Dyes and Pigments; Organics. And the molecular formula of the chemical is C16H10ClN3O3. What's more, it is always used for the pigmentation of ink, watercolor or oil paints. It may cause dermatitis, hence, while dealing with it, you should be cautious.
The physical properties of 1-((2-Chloro-4-nitrophenyl)azo)-2-naphthol are as followings: (1)ACD/LogP: 5.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5772.9; (6)ACD/BCF (pH 7.4): 5772.89; (7)ACD/KOC (pH 5.5): 17139.49; (8)ACD/KOC (pH 7.4): 17139.47; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 90.77 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 85.85 cm3; (15)Molar Volume: 226 cm3; (16)Polarizability: 34.03×10-24cm3; (17)Surface Tension: 59.3 dyne/cm; (18)Density: 1.45 g/cm3; (19)Flash Point: 291.8 °C; (20)Enthalpy of Vaporization: 87.24 kJ/mol; (21)Boiling Point: 558.9 °C at 760 mmHg; (22)Vapour Pressure: 4.25E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc(ccc3/N=N/c1c2ccccc2ccc1O)N(=O)=O
(2)InChI: InChI=1/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H/b19-18+
(3)InChIKey: XLTMWFMRJZDFFD-VHEBQXMUBX