化合物详情

CAS54827-17-7
分子式C16H20N2
分子量240.35 g/mol g/mol
危化品

Physical Description | 3,3',5,5'-tetramethylbenzidine appears as pale yellow crystals or off-white powder. (NTP, 1992)

科学粮草官-词典编辑部,修订于:2026-07-06

化合物详情

Toxicity

Toxicity
12
Fate Summary
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 3,3',5,5'-tetramethylbenzidine, which has an estimated vapor pressure of 5X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 3,3',5,5'-tetramethylbenzidine is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 5 hours(SRC), calculated from its rate constant of 7.6X10-11 cu cm/molecule-sec at 25 °C (SRC) determined using a structure estimation method(3). Since 3,3',5,5'-tetramethylbenzidine absorbs light greater than 290 nm(4), it may be suscepti...
Soil Adsorption / Mobility
The Koc of 3,3',5,5'-tetramethylbenzidine is estimated as 4,000(SRC), using an estimated log Kow of 4.11(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 3,3',5,5'-tetramethylbenzidine is expected to have slight mobility in soil(SRC). The first pKa of 3,3',5,5'-tetramethylbenzidine is estimated as 4.2, using an estimation method based on perturbed molecular orbital theory and linear free energy (LFER) methods(4). This estimated pKa indicates that 3,3',5,5'-tetramethylbenzidine will partially exist in the protonated form under acidic conditions and cations have greater adsorption to soils than neutral molecules(SRC). Furthermore, 3,3',5,5'-tetramethylbenzidine is an aromatic amine which may form covalent bonds with h...
Environmental Biodegradation
No biodegradation data for 3,3',5,5'-tetramethylbenzidine were found(SRC). Structurally similar compounds such as 3,3'-dimethylbenzidine have been shown to undergo biodegradation slowly in screening tests(1), suggesting that 3,3',5,5'-tetramethylbenzidine is also resistant to biodegradation(SRC).
Environmental Bioconcentration
An estimated BCF of 290 was calculated for 3,3',5,5'-tetramethylbenzidine(SRC), using an estimated log Kow of 4.11(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).
Volatilization from Water / Soil
The first pKa of 3,3',5,5'-tetramethylbenzidine is estimated as 4.2(SRC), using an estimation method based on perturbed molecular orbital theory and linear free energy (LFER) methods(1). This estimated pKa indicates that 3,3',5,5'-tetramethylbenzidine will partially exist in the protonated form under acidic conditions and cations will not volatilize from water or soil surfaces(SRC). The Henry's Law constant for the neutral species (free base) of 3,3',5,5'-tetramethylbenzidine is estimated as 7.7X10-11 atm-cu m/mole(SRC) using a fragment constant estimation method(2). This Henry's Law constant indicates that 3,3',5,5'-tetramethylbenzidine is expected to be essentially nonvolatile from water surfaces(3). 3,3',5,5'-Tetramethylbenzidine's Henry's Law constant(2) indicates that volatilizatio...
Environmental Abiotic Degradation
The rate constant for the vapor-phase reaction of 3,3',5,5'-tetramethylbenzidine with photochemically-produced hydroxyl radicals has been estimated as 7.6X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The first pKa of 3,3',5,5'-tetramethylbenzidine is estimated as 4.2(SRC), using an estimation method based on perturbed molecular orbital theory and linear free energy (LFER) methods(2). This pKa indicates that 3,3',5,5'-tetramethylbenzidine will partially exist in the protonated form under acidic conditions(SRC). 3,3',5,5'-Tetramethylbenzidine absorbs light greater than 290 nm(3) and may be susceptible to photolysis in the...
Artificial Pollution Sources
3,3',5,5'-Tetramethylbenzidine's production and use as a clinical reagent for testing blood(1) may result in its release to the environment through various waste streams(SRC).
Probable Routes of Human Exposure
Occupational exposure to 3,3',5,5'-tetramethylbenzidine may occur through inhalation and dermal contact with this compound at workplaces where 3,3',5,5'-tetramethylbenzidine is produced or used. (SRC)
Environmental Fate / Exposure Summary
3,3',5,5'-Tetramethylbenzidine's production and use as a clinical reagent for testing blood may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 5X10-7 mm Hg at 25 °C indicates 3,3',5,5'-tetramethylbenzidine will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 3,3',5,5'-tetramethylbenzidine will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals; the half-life for this reaction in air is estimated to be 5 hours. 3,3',5,5'-Tetramethylbenzidine absorbs light greater than 290 nm, and it may be susceptible to direct photolysis in the environment; however, the rate of this potential reaction is unknown. Particulate-phase 3,3',5,5'-tetramethylb...
Adverse Effects
Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Non-Human Toxicity Values
LD50 Mouse ip 135 mg/kg
Antidote and Emergency Treatment
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
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