Basic information
- Name:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl-
- Superlist Name:
- Pigment Yellow 12
- CAS No.:
6358-85-6
- Molecular Structure:
![Molecular Structure of 6358-85-6 (Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl-)](http://www.lookchem.com/300w/2010/0623/6358-85-6.jpg)
- Formula:
- C32H26Cl2N6O4
- Molecular Weight:
- 629.51
- Deleted CAS:
- 82197-93-1, 82249-35-2, 97794-07-5, 127546-11-6, 142583-27-5, 912849-92-4
- Synonyms:
- Acetoacetanilide,2,2''-(3,3'-dichloro-4,4'-biphenylylenebisazo)bis- (6CI);C.I. Pigment Yellow 12 (7CI,8CI);2,2'-[(3,3'-Dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutanamide;Amazon Yellow X 2485;Benzidine Lacquer Yellow G;Benzidine Yellow45-2680;Benzidine Yellow G;Benzidine Yellow GT;Benzidine Yellow Toner;Benzidine YellowYB 5722;Bis(acetyl-N-phenylcarbamylmethyl)-4,4'-disazo-3,3'-dichlorobiphenyl;C.I. 21090;Carnelio Yellow GX;Dainichi BenzidineYellow G;DainichiBenzidine Yellow GY;Diarylide Yellow AAA;Diarylide Yellow AAMX;EP 500;Eljon Yellow BG;Helio Yellow GW;Helio Yellow GWN;IrgaliteYellow BST;Isol Benzidine YellowG 2537;Isol Benzidine Yellow G Special;Japan Yellow No.205;Kromon Yellow GXT Conc;Light YellowJB;Light Yellow JBO;Lionol Yellow1235P;LionolYellow GGT;Lionol Yellow SS-OW;Lutetia Yellow 2JRST;Monolite Yellow GRA;Monolite Yellow GTA;Permanent Yellow GHG;
- EINECS:
- 228-787-8
- Density:
- 1.34 g/cm3
- Boiling Point:
- 805.4 °C at 760 mmHg
- Flash Point:
- 440.9 °C
- Appearance:
- Odorless fine yellow powder
- particular:
- particular
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Consensus Reports
Specification
The Pigment Yellow 12, with the CAS registry number 6358-85-6, has the IUPAC name of 2-[[4-[4-[(1-anilino-1,
3-dioxobutan-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]-3-oxo-N-phenylbutanamide. It is also known as Diarylanilide Yellow. And the molecular formula of the chemical is C32H26Cl2N6O4.
The physical properties of Pigment Yellow 12 are as followings: (1)ACD/LogP: 8.66; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 5.93; (4)ACD/LogD (pH 7.4): 5.16; (5)#H bond acceptors: 10; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 141.78 Å2; (9)Index of Refraction: 1.65; (10)Molar Refractivity: 170.39 cm3; (11)Molar Volume: 466.8 cm3; (12)Polarizability: 67.55×10-24cm3; (13)Surface Tension: 52.1 dyne/cm; (14)Density: 1.34 g/cm3; (15)Flash Point: 440.9 °C; (16)Enthalpy of Vaporization: 117.09 kJ/mol; (17)Boiling Point: 805.4 °C at 760 mmHg; (18)Vapour Pressure: 5.64E-26 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2/N=N/C(C(=O)C)C(=O)Nc1ccccc1)c4ccc(/N=N/C(C(=O)C)C(=O)Nc3ccccc3)c(Cl)c4
(2)InChI: InChI=1/C32H26Cl2N6O4/c1-19(41)29(31(43)35-23-9-5-3-6-10-23)39-37-27-15-13-21(17-25(27)33)22-14-16-28(26(34)18-22)38-40-30(20(2)42)32(44)36-24-11-7-4-8-12-24/h3-18,29-30H,1-2H3,(H,35,43)(H,36,44)/b39-37+,40-38+
(3)InChIKey: GNCOVOVCHIHPHP-HVMBLDELBU
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | > 10800mg/kg (10800mg/kg) | Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989. |