- 【Solubilities】
- Insoluble PRINTING RESISTANCE
- 【Color/Form】
- A yellow diazo pigment.
- 【Computed Properties】
- Molecular Weight:629.49264 [g/mol]
Molecular Formula:C32H26Cl2N6O4
XLogP3-AA:8.1
H-Bond Donor:2
H-Bond Acceptor:8
Rotatable Bond Count:11
Tautomer Count:78
Exact Mass:628.139259
MonoIsotopic Mass:628.139259
Topological Polar Surface Area:142
Heavy Atom Count:44
Formal Charge:0
Complexity:979
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:2
Feature 3D Anion Count:2
Feature 3D Ring Count:4
Effective Rotor Count:13
Conformer Sampling RMSD:1.2
CID Conformer Count:182
Safety and Handling
- 【Hazard Codes】
- UN NO.
- 【Transport】
- 25kgs
- 【Disposal Methods】
- SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Use and Manufacturing
- 【Use and Manufacturing】
-
Methods of Manufacturing
3,3'-Dichlorobenzidene dihydrochloride + acetoactanilide (diazotisation/azo coupling).
Condensation of 3,3'-dichlorobenzidine di-diazotate with acetoacetanilide.
U.S. Imports
(1972) 4.50X10+7 GRAMS (PRINCPL CUSTMS DISTS)
(1975) 2.82X10+7 GRAMS (PRINCPL CUSTMS DISTS)
U.S. Production
(1972) 1.86X10+9 GRAMS
(1975) 1.77X10+9 GRAMS
(1984) 7.03X10+9 GRAMS
13,892X10+3 lb
1.066X10+7 kg (1993)
- 【Sampling Procedures】
- Analyte: Benzidine; Matrix: air; Sampler: filter (5 um PTFE membrane); Flow rate: 1-3 l/min; Vol: min: 150 l @ 0.1 mg/cu m, max: 500 l; Stability: about 7 days at 25 deg C in dark. /Dyes, benzidine-, o-toluidine-, o-dianisidine-/
Biomedical Effects and Toxicity
- 【Biomedical Effects and Toxicity】
- PIGMENTS /INCLUDING PIGMENT YELLOW 12/ WERE NOT ABSORBED AFTER CHRONIC ORAL INGESTION & DID NOT UNDERGO METABOLIC SPLITTING TO 3,3-DICHLOROBENZIDINE OR 3,3-DIMETHYLBENZIDINE /IN MICE OR RATS/.
The average environmental exposure levels of four of the workers /in a dye manufacturing facility/ were 4.3, 5.2, 11.7, and 17.4 mg total particulate/cu m. The corresponding urinary concentrations of benzidine average 52, 11, 10, and 112 ppb, respectively /SRP: from the precursor during manufacturing/. /Benzidine-based dyes/
The oral and dermal absorption and distribution of water insoluble (WI) 3,3'-dichlorobenzidine (DCB) based pigments were evaluated in Fischer 344 rats. Chlorodiane blue (CDB) and pigment yellow 12 (PY-12) ... were synthesized from DCB and labeled with (14)C. Rats were given oral doses of ... 1.11 mg/kg labeled WI PY-12 for absorption studies or 0.99 mg/kg for a 24 hour balance study. ... In an 8 hour oral study of CDB, blood samples taken from 10 min to 8 hr showed radioactivity at background levels. Dermal application resulted in background levels, as well. After the oral dose, all of the administered dose was accounted for in feces. For PY-12, radioactivity in blood at background levels after oral or dermal application. The entire dose was accounted for in feces after the oral dose. ... [Decad GM et al; J Toxicol Environ Health 11 (3): 455-65 (1983)] PubMed Abstract
Environmental Fate and Exposure Potential
- 【Environmental Fate/Exposure Summary】
- TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 68(SRC), determined from an estimated log Kow(2) and a recommended regression-derived equation(3), indicates that C.I. Pigment Yellow 12 will have high mobility in soil(SRC). As C.I. Pigment Yellow 12 may act as an ionic compound in the environment, volatilization of this compound will not be important from moist soil surfaces(4,SRC). Based on limited data, C.I. Pigment Yellow 12 is expected to be resistant to aerobic biodegradation in soil(SRC); in the MITI test this compound is resistant to biodegradation; 0 biodegradation occurred after a period of two weeks(5).
AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 68(SRC), determined from an estimated log Kow(2) and a recommended regression-derived equation(1), indicates that C.I. Pigment Yellow 12 will not adsorb to suspended solids and sediment in water(SRC). As C.I. Pigment Yellow 12 may act as an ionic compound, volatilization from water surfaces is not expected(3,SRC). According to a classification scheme(4), experimental BCF values ranging from 0.38 to 5.4(5,SRC), suggests that bioconcentration in aquatic organisms is low(SRC). Based on limited data, C.I. Pigment Yellow 12 is expected to be resistant to aerobic biodegradation in water(SRC). Using the MITI test, this compound is resistant to biodegradation; 0 biodegradation occurred after a period of two weeks(5).
ATMOSPHERIC FATE: The ionic nature of C.I. pigment Yellow 12 in the environment makes this compound essentially non-volatile(1,SRC).
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![Butanamide,2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-N-phenyl- C32H26Cl2N6O4 (cas 6358-85-6) Molecular Structure](http://img1.guidechem.com/chem/e/dict/29/6358-85-6.jpg)
Jinan Haohua Industry Co., Ltd.
China
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