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HCID 9265Erstellt: 27. Oktober 2026

Cycloheptan

suberane · NSC 5164 · Cycloheptan · Cycloheptane · HEPTAMETHYLENE · Cycloheptane,99% · Cycloheptane >Selinexor Impurity 17 · Cycloheptanecarboxylic

https://huagongshe.com/de/chemical/9265

Molekülstruktur von Cycloheptan

Identifikatoren & physikalische Daten

CAS No.291-64-5
SummenformelC7H14
Durchschnittliche Molmasse98,19 g/mol
Monoisotopische Masse98,10955045 g/mol
SMILESC1CCCCCC1
InChIKeyDMEGYFMYUHOHGS-UHFFFAOYSA-N
PubChem CID9265
ChEMBLCHEMBL453194
EC No.206-030-2
DTXSIDDTXSID0074269
Lokaler NameCycloheptan

Chemische & physikalische Eigenschaften

XLogP4
Polarare Oberfläche (TPSA)0
H-Brücken-Donoren0
H-Brücken-Akzeptoren0
Frei drehbare Bindungen0
Schwere Atome7
Formalladung0
Komplexität19,7
StoffklassenFlammable agents - 3rd degree
SolventsSolvents -> Aliphatics, Saturated (<C12)
SpringerMaterials PropertiesSchoenflies notation
LogP (Verteilungskoeffizient)log Kow = 4.0
Dichte0.811 (USCG, 1999) - Less dense than waterwill float0.8098 g/cu cm at 20 °C0.811 g/mL at 25 °C(lit.)
Color/FormColorless liquid
LöslichkeitIn water, 30 mg/L at 25 °CVery soluble in ethanol and ethersoluble in benzene, and chloroformSoluble in alcohol, benzene, chloroform, ether, and ligroin (Weast, 1986)Soluble in water 30 mg @ 20°C.
Flammpunkt43 °F (USCG, 1999)6 °C (43 °F) (Closed cup)<70 °F (<21 °C) (Closed cup)
Siedepunkt245.3 °F at 760 mmHg (USCG, 1999)118.48 °C at 760 mm Hg118.5 °C(lit.)
Schmelzpunkt10.4 °F (USCG, 1999)-8.0 °C-12 °C
Dampfdichte3.3 (Air = 1)
Dampfdruck44 mmHg (USCG, 1999)21.6 [mmHg]21.6 mm Hg at 25 °C44 mm Hg ( 37.7 °C)
Brechungsindexn20/D 1.445(lit.)
LagerbedingungenFlammables area
AggregatzustandLiquid
FarbeClear colorless
BRN1900279
Henry-Konstante9.35 x 10-2 atmm3/mol(approximate - calculated from water solubility and vapor pressure)
Dielektrizitätskonstante2.0800000000000001
InChI1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
InChIKeyDMEGYFMYUHOHGS-UHFFFAOYSA-N
SMILESC1CCCCCC1
CAS Datenbank291-64-5(CAS DataBase Reference)
EPA chemische InformationenCycloheptane (291-64-5)

Sicherheit & Vorschriften

GHS-EinstufungDangerH225 (83.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P273, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 95 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
Regulatorische InformationenCycloheptane: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT-KennzeichnungFlammable Liquid
BrandgefahrenSpecial Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. Container explosion may occur under fire conditions. Forms explosive mixures in air. (USCG, 1999)· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
BrandpotenzialFlammable, dangerous fire risk.
GesundheitsgefahrenMay be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation. (USCG, 1999)CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.
GefahrenübersichtIf left on clothes, can cause reddening of skin[CHRIS] Inhalation of high concentrations can cause loss of consciousness[NJ-HSFS]
DOT-Nummer und Handbuch2241 128
Reaktive GruppeHydrocarbons, Aliphatic Saturated
Reactivity AlertsHighly Flammable
Reactivity ProfileSaturated aliphatic hydrocarbons, such as CYCLOHEPTANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents.

Anwendungen & Verwendung

Verwenden

Cycloheptane is used as a nonpolar solvent for the chemical industry and as an intermediate in the manufacture of chemicals and pharmaceutical drugs. It can be used to get fluorocycloheptane.

Flammable LimitsLower flammable limit: 1.1% by volumeUpper flammable limit: 6.7% by volume
DOT Emergency Guidelines/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot./GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution./GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering./GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.For more DOT Emergency Guidelines (Complete) data for CYCLOHEPTANE (8 total), please visit the HSDB record page.
BrandbekämpfungExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Freisetungsmaßnahmen· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
Erste HilfeINHALATION: Call for medical aid. Remove the victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.General First Aid:
Firefighting HazardsSpecial hazards arising from the substance or mixture: Carbon oxides
Expositionsschutz und Persönliche Schutzausrüstung· Wear positive pressure self-contained breathing apparatus (SCBA).
BrandbekämpfungsverfahrenTo fight fire use foam, carbon dioxide, dry chemical.Suitable extinguishing media: For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spraysolid streams of water may be ineffective. Cool all affected containers with flooding quantities of water.Advice for firefighters: Wear self contained breathing apparatus for fire fighting if necessary.Use water spray to cool unopened containers.If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.
LagerbedingungenConditions for safe storage, including any incompatibilities: Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage.
ReinigungsverfahrenAccidental Release Measures. Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to form explosive concentrations. Vapours can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and place in container for disposal according to local regulations.Environmental considerations: Land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, or commercial sorbents. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Remove trapped material with suction hoses.Environmentl considerations: Air spill: Apply water spray or mist to knock down vapors.
Freisetung ohne BrandExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. 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 soil or watereffects on animal and plant lifeand conformance with environmental and public health regulations.Waste treatment methods. Product: Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.
Preventive MeasuresPrecautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapour or mist. Use explosion-proof equipment.Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic charge.Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.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.If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without undue personnel hazard. Use water spray to knock-down vapors.Personnel Protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material anticipated, wear appropriate chemical protective clothing.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:Immediate precautionary measure
ÖkotoxizitätswerteLC50Species: Daphnia magna (Water Flea) age < or =24 hrConditions: freshwater, static, 20-22 °C, pH 7.6-7.7Concentration: >50000 ug/L for 24 hr /formulation/
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 270(SRC), determined from a structure estimation method(2), indicates that cycloheptane is expected to have moderate mobility in soil(SRC). Volatilization of cycloheptane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.0093 atm-cu m/mole(SRC), based upon its vapor pressure, 21.6 mm Hg(3), and water solubility, 30 mg/L(4). Cycloheptane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). Utilizing the Warburg respirometry test, <25% of the Theoretical BOD was reached in 24 hours(8), indicating that biodegradation is not an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 270(SRC), determined from a structure estimation method(2), indicates that cycloheptane is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 0.0093 atm-cu m/mole(SRC), derived from its vapor pressure, 21.6 mm Hg(4), and water solubility, 30 mg/L(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.0 hours and 3.9 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 200(SRC), from its log Kow of 4.00(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Utilizing the Warburg respirometry test, <25% of the Theoretical BOD was reached in 24 hours(8), indicating that biodegradation is not an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cycloheptane, which has a vapor pressure of 21.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase cycloheptane 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 31 hours(SRC), calculated from its rate constant of 1.24X10-11 cu cm/molecule-sec at 25 °C(3). Cycloheptane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to/may be susceptible to direct photolysis by sunlight(SRC).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
ToxizitätsübersichtIDENTIFICATION: Cycloheptane is a colorless liquid that is primarily used in organic synthesis. HUMAN EXPOSURE AND TOXICITY: In humans exposure to cycloheptane produced CNS depression when vapors were inhaled. ANIMAL STUDIES: When cycloheptane was applied to guinea pig skin, morphological changes (epidermal thickening) and altered epidermal soluble arginase activity occurred.
Effluent ConcentrationsCycloheptane was found to be an emission from commercial natural gas, but not from gasoline or vehicle exhausts. Data was acquired during the Southern California Air Quality Study conducted in the summer and fall of 1987(1).
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of cycloheptane can be estimated to be 270(SRC). According to a classification scheme(2), this estimated Koc value suggests that cycloheptane is expected to have moderate mobility in soil.
Atmospheric ConcentrationsURBAN/SUBURBAN: According to the National Ambient Volatile Organic Compounds Database, the median urban and suburban atmospheric concns of cycloheptane are 0.054 and 0.067 ppbV, respectively(1).
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ ... /CNS depressant/ by inhalation.
Artificial Pollution SourcesCycloheptane's production and use as a laboratory chemical for organic synthesis(1) may result in its limited release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: Cycloheptane, present at 100 mg/L, reached <25% of its theoretical BOD in 24 hours using an activated sludge inoculum in the Warburg respirometry test(1).PURE CULTURE: Pure culture studies showed various species of bacteria isolated from soil were unable to utilize cycloheptane as a single carbon source(1).
Environmental BioconcentrationAn estimated BCF of 200 was calculated in fish for cycloheptane(SRC), using a log Kow of 4.00(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/SoilThe Henry's Law constant for cycloheptane is estimated as 0.093 atm-cu m/mole(SRC) derived from its vapor pressure, 21.6 mm Hg(1), and water solubility, 30 mg/L(2). This Henry's Law constant indicates that cycloheptane is expected to volatilize rapidly from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 1.0 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 3.9 days(SRC). Cycloheptane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of cycloheptane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Wassergefährdungsklasse (WGK)2
UN-TransportnummerUN 2241
Zollcode29021900
RTECS-Nr.GU3140000
R-Sätze (R)11-65
GefahrensymboleF,Xn
Sicherheitshinweise (S)16-23-24/25-62
Gefahrenklasse3Asp. Tox. 1Flam. Liq. 2
VerpackungsgruppeII
Lagerklasse3 - Flammable liquids
Gefahrstoffdaten291-64-5(Hazardous Substances Data)