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HCID 26323Erstellt: 3. November 2026

S-Propylchlorthioformiat

propylchlorothioformate · propylchlorothiolformate · S-PROPYL THIOCHLOROFORMATE · S-PROPYL CHLOROTHIOFORMATE · n-Propyl chlorothioformate · N-PROPYL CHLOROTHIOLFORMATE · 1-(Chloroformylthio)propane · n-propylthiochloroformate[qr]

https://huagongshe.com/de/chemical/26323

Molekülstruktur von S-Propylchlorthioformiat

Identifikatoren & physikalische Daten

CAS No.13889-92-4
SummenformelC4H7ClOS
Durchschnittliche Molmasse138,62 g/mol
Monoisotopische Masse137,9906137 g/mol
SMILESCCCSC(=O)Cl
InChIKeyFYOPSYJKEHWOBR-UHFFFAOYSA-N
PubChem CID26323
ChEMBLCHEMBL1469099
EC No.237-656-4
DTXSIDDTXSID8025963
Lokaler NameS-Propylchlorthioformiat

Chemische & physikalische Eigenschaften

XLogP2,6
Polarare Oberfläche (TPSA)42,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome7
Formalladung0
Komplexität64,7
StoffklassenToxic Gases & Vapors -> Acid Halides
pHpH 0.2-1.5 (1:1:1 vol - % n-propl chlorothioformate:acetone:water)
SpringerMaterials PropertiesMolecular structure
GeruchPenetrating
Dichte1.053 at 66 °F (NTP, 1992) - Denser than waterwill sink1.11.149 g/mL at 25 °C
Viscosity4 cps at 20 °C
Color/FormAmber-colored liquid
Löslichkeitless than 1 mg/mL at 68 °F (NTP, 1992)INSOL IN WATERSoluble in dichloroethane.
Flammpunkt144 °F (NTP, 1992)63 °C49 °C
Siedepunkt155 °C37 °C/ 8 mmHg
Dampfdichte4.8 (AIR= 1)
Dampfdruck178.8 mmHg at 100 °F (NTP, 1992)6.27 [mmHg]6.27 mm Hg at 25 °C.
Brechungsindexn 20/D 1.4807
Lagerbedingungen2-8°C
InChI1S/C4H7ClOS/c1-2-3-7-4(5)6/h2-3H2,1H3
InChIKeyFYOPSYJKEHWOBR-UHFFFAOYSA-N
SMILESCCCSC(Cl)=O
EPA chemische InformationenS-Propyl chlorothioformate (13889-92-4)

Sicherheit & Vorschriften

GHS-EinstufungDangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
DOT-KennzeichnungCorrosive Flammable Liquid
BrandgefahrenThis chemical is combustible. (NTP, 1992)
BrandpotenzialThis material is considered combustible.
GesundheitsgefahrenACUTE/CHRONIC HAZARDS: This compound may be corrosive and may cause lachrymation. (NTP, 1992)
GefahrenübersichtLachrymatorMay hydrolyze after inhalation releasing HClCauses acute pulmonary edema in animal inhalation experiments[HSDB] Harmful if ingestedCauses burns[MSDSonline]
Reaktive GruppeEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Special ReportsITC/USEPAInformation Review #331 (Draft) S-(n-propyl) Chlorothioformate (1983)
TSCA-AnforderungenReported in TSCA inventory
Reactivity ProfileS-(N-PROPYL)CHLOROTHIOFORMIC ACID reacts exothermically with acids. May generate hydrogen sulfide with acids. Strong oxidizing agents may cause vigorous reactions that are sufficiently exothermic to ignite the reaction products. Reacts exothermically with caustic solutions. Flammable hydrogen is generated by mixing with alkali metals and hydrides.
Air and Water ReactionsSensitive to moisture (NTP, 1992). Slowly hydrolyzed. Insoluble in water.
NFPA Hazard Classification
2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.0 - Materials that in themselves are normally stable, even under fire conditions.
Toxic Combustion ProductsUnder fire conditions ... will decompose to give off toxic materials.
BrandbekämpfungFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste HilfeEYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Firefighting HazardsVapors are extremely irritating to the respiratory tract and may cause breathing difficulty and pulmonary edema. Symptoms may be delayed several hours or longer depending on exposure.
BrandbekämpfungsverfahrenUse water, dry chemicals, foam or carbon dioxide. If drums are not leaking, keep cooled with a water spray. High pressure water hose may spread product from broken containers increasing contamination hazards. Use of contaminated buildings, areas and equipment must be prevented until they are properly decontaminated.
LagerbedingungenContainers should be stored in a cool, dry, well-ventilated area. Store away from flammable materials, sources of heat and flame and foodstuffs. Exercise due caution to prevent damage to or leakage from the container.
ReinigungsverfahrenSoak up pooled liquid with a suitable neutralizing absorbent, such as dry calcium hydroxide. Exercise caution during the neutralization as considerable heat may be generated. Place the absorbed material into a suitable chemical waste container. Apply diethanolamine (DEA) to the spill area and allow to stand for 5 min. Using wet towels, wipe up the DEA. Flush the spill area to remove residual DEA.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.Firefighters should wear full-face, self-contained breathing apparatus and impervious clothing such as gloves, hoods, suits and rubber boots.
UmweltverhaltenAtmospheric: photolysis and hydrolysis in water droplets should rapidly destroy the cmpd in the atmosphere.S-(n-propyl) chlorothioformate is likely to have minimal environmental release. The manufacture of the cmpd should take place in a closed system. Use of this cmpd as an intermediate in preparation of pesticides is likely to also occur in a closed system.Atmospheric: ... based on its estimated volatility the cmpd could move into the atmosphere.
Unerwünschte WirkungenDermatotoxin - Skin burns.
Environmental BioconcentrationBased on its octanol/water partition coefficient S-(n-propyl) Chlorothioformate is not expected to bioconcentrate.
Non-Human Toxicity ExcerptsPropyl mercaptan, a hydrolysis product of s-(n-propyl)chlorothioformate caused severe irritation to the eye of a rabbit at 83 mg. /propyl mercaptan/S-(n-propyl) chlorothioformate may act as ... a vesicant and, after inhalation, may produce respiratory tract effects due to release of HCl by hydrolysis and acylation of tissue nucleophiles.A single oral dose of 566 mg/kg did not produce signs of toxicity in male or female rats. Signs of toxicity at larger, /not specified/, doses included decreased physical activity, lacrimation, piloerection and weakened righting and placement reflexes.A single one-hr inhalation exposure of 1.3 mg/l (nominal concn) produced ataxia, gasping, lacrimation and 70% mortality in rats. Necropsy revealed pulmonary edema, and congested liver and/or lungs.
Environmental Abiotic DegradationHydrolysis rate constant of s-(n-propyl) chlorothioformate is 29.6 x 10-4half-life (min) 3.9 in water at 4.6 °C.S-(n-propyl) chlorothioformate hydrolyzes to produce n-propyl mercaptan.
Antidote and Emergency TreatmentIngestion: do not induce vomiting. Immediately give large quantities of water. If vomiting does occur, give fluids again. Never give anything by mouth to an unconscious person.Skin contactImmediately remove contaminated clothing, wiping away excess material from the skin. Under a safety shower, flush all affected areas with large amounts of water for at least 15 min. Do not attempt to neutralize with chemical agents.Eye contact: Immediately flush the eyes with large quantities of water for a minimum of 15 min. Hold the eyelids apart during the flushing to ensure rinsing of the entire surface of the eye and lids with water. Do not attempt to neutralize with chemical agents. Obtain medical attention as soon as possible. Oils or ointments should not be used. Continue the flushing for an additional 15 minutes if the physician is not immediately available.Inhalation: Remove from contaminated atmosphere. If breathing has ceased, clear the victim's airway and start mouth-to-mouth artificial respiration, which may be supplemented by the use of a bag-mask respirator or a manually-triggered, oxygen supply capable of delivering one l/sec or more. If the victim is breathing, oxygen may be delivered from a demand-type or continuous-flow inhalator, preferably with a physician's advice
Toxicity DataLCLo (rat) = 1,300 mg/m3
Non-Human Toxicity ValuesLD50 rat po 1129 mg/kgtoxic effects: eye, skin, and behavioral symptomsLD50 rabbit dermal 4500 mg/kg
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 2920 8/PG 2
RTECS-Nr.LQ7005000
R-Sätze (R)10-22-34
GefahrensymboleC
Sicherheitshinweise (S)28-36/37/39-45
Lagerklasse3 - Flammable liquids
Gefahrstoffdaten13889-92-4(Hazardous Substances Data)
GefahrenklasseAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B