Terephthalaldehyde｜Huagongshe

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HCID 178761471Erstellt: 27. Oktober 2026

Terephthalaldehyde

1,?4-?Benzene-?2,?3,?5,?6-?d4-?dicarboxaldehyde

https://huagongshe.com/de/chemical/178761471

Molekülstruktur von Terephthalaldehyde

Identifikatoren & physikalische Daten

CAS No.	131170-44-0
Summenformel	C8H6O2
Durchschnittliche Molmasse	134,13 g/mol
SMILES	O=Cc1ccc(C=O)cc1
InChIKey	KUCOHFSKRZZVRO-UHFFFAOYSA-N
EC No.	210-784-8

Chemische & physikalische Eigenschaften

XLogP	0,9
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	107
Stoffklassen	Other Classes -> Benzaldehydes
SpringerMaterials Properties	Schoenflies notation
Color/Form	Needles from water
Löslichkeit	In water, 200 mg/L at 25 °CInsoluble in waterVery soluble in ethanolsoluble in ethyl ether, chloroform, alkalies
Flammpunkt	76 °C (169 °F) - closed cup
Siedepunkt	246 °C
Decomposition	When heated to decomposition it emits acrid smoke and irritating fumes.
Schmelzpunkt	117 °C
Physical Description	White to cream crystalline powder[Alfa Aesar MSDS]
Stability/Shelf Life	Stable under recommended storage conditions.

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 45.7% (21 of 46) of reports.DangerH302 (26.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: 1,4-BenzenedicarboxaldehydeStatus: Active Update: 08-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/271801,4-Benzenedicarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	A skin and strong eye irritant[Alfa Aesar MSDS] See o-Phthalaldehyde.
Toxic Combustion Products	Special hazards arising from the substance or mixture: Carbon oxides.
Hazard Classes and Categories	Acute Tox. 4 (26.1%)
Hazardous Reactivities and Incompatibilities	Incompatible materials: Strong oxidizing agents, strong bases.
Brandbekämpfungsverfahren	Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.
Lagerbedingungen	Keep container tightly closed in a dry and well-ventilated place.
Reinigungsverfahren	ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Sweep up and shovel. Keep in suitable, closed containers for disposal.

Anwendungen & Verwendung

Verwenden

Terephthalaldehyde-2,3,5,6-d4 is used in the metalation of arenes with superbasic reagents.

Entsorgungsverfahren

SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in air, soil or watereffects on animal, aquatic and plant lifeand conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.Product: Offer surplus and non-recyclable solutions to a licensed disposal companyContaminated packaging: Dispose of as unused product.

Preventive Measures

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Avoid dust formation. Avoid breathing vapors, mist or gas. Environmental precautions: Do not let product enter drains.Precautions for safe handling: Provide appropriate exhaust ventilation at places where dust is formed.Appropriate engineering controls: General industrial hygiene practice.Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.

Personal Protective Equipment (PPE)

Eye/face protection: Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).Skin protection: Handle with gloves.Body Protection: Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place.Respiratory protection: Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Umweltverhalten

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that terephthalaldehyde is expected to have very high mobility in soil(SRC). Volatilization of terephthalaldehyde from moist soil surfaces is not expected(SRC) given an estimated Henry's Law constant of 3.4X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Terephthalaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.0X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2). Biodegradation data in soil were not available(SRC, 2018).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10(SRC), determined from a structure estimation method(2), indicates that terephthalaldehyde is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 3.4X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(2). Terephthalaldehyde is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). According to a classification scheme(4), an estimated BCF of 4(SRC), from an estimated log Kow of 1.43(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation data in water were not available(SRC, 2018).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), terephthalaldehyde, which has an estimated vapor pressure of 4.0X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase terephthalaldehyde 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 11 hours(SRC), calculated from its rate constant of 3.4X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(2). Based on structural analogy with o-phthalaldehyde, which has an absorption peak at 297 nm(3), terephthalaldehyde may be susceptible to direct photolysis by sunlight(SRC).

Toxizitätsübersicht	IDENTIFICATION AND USE: p-Phthalaldehyde is a solid. It is used for modification of coal tar pitch to reduce toxic polycyclic aromatic hydrocarbon content. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: There are no data available.

Effluent Concentrations	Fine aerosol emission rates of terephthalaldehyde from heavy-duty diesel trucks, non-catalyst-equipped and catalyst-equipped automobiles were 1.5, 19.2 and 5.2 ug/km, respectively(1).

Soil Adsorption/Mobility	Using a structure estimation method based on molecular connectivity indices(1), the Koc of terephthalaldehyde can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that terephthalaldehyde is expected to have very high mobility in soil(SRC).

Environmental Bioconcentration	An estimated BCF of 4 was calculated in fish for terephthalaldehyde(SRC), using an estimated log Kow of 1.43(1) and a regression-derived equation(1). According to a classification scheme(2), this BCF suggests the potential for bioconcentration in aquatic organisms is low.

Volatilization from Water/Soil

The Henry's Law constant for terephthalaldehyde is estimated as 3.4X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that terephthalaldehyde is expected to be essentially nonvolatile from water and soil surfaces(2). Terephthalaldehyde is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 4.0X10-3 mm Hg(SRC), determined from a fragment constant method(1).

Environmental Abiotic Degradation

The rate constant for the vapor-phase reaction of terephthalaldehyde with photochemically-produced hydroxyl radicals has been estimated as 3.4X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 11 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Terephthalaldehyde is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). Based on structural analogy with o-phthalaldehyde, which has an absorption peak at 297 nm(3), terephthalaldehyde may be susceptible to direct photolysis by sunlight(SRC).

Probable Routes of Human Exposure	Occupational exposure to terephthalaldehyde may occur through dermal contact with this compound at workplaces where terephthalaldehyde is produced or used. Use data indicate that the general population is not likely to be exposed to terephthalaldehyde. (SRC)

Environmental Fate/Exposure Summary

Terephthalaldehyde's production and use as a laboratory chemical may result in its release to the environment through various waste streams. If released to air, an estimated vapor pressure of 4.0X10-3 mm Hg at 25 °C indicates terephthalaldehyde will exist solely as a vapor in the atmosphere. Vapor-phase terephthalaldehyde will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is estimated to be 11 hours. Based on structural analogy with o-phthalaldehyde, which has an absorption peak at 297 nm, terephthalaldehyde may be susceptible to direct photolysis by sunlight. If released to soil, terephthalaldehyde is expected to have very high mobility based upon an estimated Koc of 10. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 3.4X10-8 atm-cu m/mole. Biodegradation data in soil or water were not available. If released into water, terephthalaldehyde is not expected to adsorb to suspended solids and sediment based upon the estimated Koc. Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated Henry's Law constant. An estimated BCF of 4 suggests the potential for bioconcentration in aquatic organisms is low. Hydrolysis is not expected to be an important environmental fate process since this compound lacks functional groups that hydrolyze under environmental conditions (pH 5 to 9). Occupational exposure to terephthalaldehyde may occur through dermal contact with this compound at workplaces where terephthalaldehyde is produced or used. Use data indicate that the general population is not likely to be exposed to terephthalaldehyde. (SRC)

Antidote and Emergency Treatment

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aldehydes and Related Compounds//SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Aggressive airway management may be necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Anticipate seizures and treat if necessary ... . Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aldehydes and Related Compounds//SRP:/ Advanced treatment: Consider Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Intubation should be considered at the first sign of upper airway obstruction caused by edema. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aldehydes and Related Compounds/