Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,1-디클로로프로판
1,1-다이클로로프로페인 · 1,1-디클로로프로판 · 1,1-Dichlorpropan · r270fb · propylidenchlorid · 1,1-DICHLOROPROPANE · dichloro-1,1propane · 1,1-dichloro-propan
식별자 및 물리적 특성
| CAS No. | 26638-19-7 |
|---|---|
| 분자식 | C3H6Cl2 |
| 평균 분자량 | 112.98 g/mol |
| 단동위원소 질량 | 111.9846556 g/mol |
| SMILES | CCC(Cl)Cl |
| InChIKey | WIHMGGWNMISDNJ-UHFFFAOYSA-N |
| PubChem CID | 6573 |
| ChEMBL | CHEMBL2287704 |
| EC No. | 201-165-3 |
| DTXSID | DTXSID9058818 |
| 현지명 | 1,1-디클로로프로판 |
화학 및 물리적 성질
| XLogP | 2.5 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 18 |
| LogP(분배 계수) | 2.3 (calculated) |
| 냄새 | Sweet |
| 밀도 | 1.1321 at 68 °F (USCG, 1999) - Denser than waterwill sink1.1321 g/cu cm at 20 °CDensity: 1.143 at 10 °CRelative density (water = 1): 1.131.1321 @ 20°C1.13 g/mL at 25 °C (lit.) |
| Color/Form | LiquidColorless watery liquid |
| 용해도 | In water, 2,700 mg/L at 20 °CVery slightly soluble in waterSoluble in alcohol, ether, benzene, chloroformSoluble in many org solventsSolubility in water: none유기용매: 에 용해됨(lit.) |
| 인화점 | 70 °F (est.) (USCG, 1999)16 °C7 °C (45 °F) - closed cup16 °C o.c. |
| 끓는 점 | 190.6 °F at 760 mmHg (USCG, 1999)88.4 °C88 °C88.1 °C @760 [mm Hg]88 °C (lit.) |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, hydrogen chloride gas.When heated to decomposition it emits toxic fumes of /chloride/. |
| 증기 밀도 | 3.9 (Air = 1)Relative vapor density (air = 1): 3.9 |
| 증기압 | 68.3 [mmHg]68.3 mm Hg at 25 °CVapor pressure, kPa at 25 °C: 8.765.9 [mm Hg] @25 °C |
| 굴절률 | Index of refraction: 1.4289 at 20 °C/Dn20/D 1.4275(lit.) |
| Heat of Combustion | -6667 Btu/lb = -3704 cal/g |
| 녹는점 | -83.56°C (estimate) |
| 물리적 상태 | liquid |
| 용해도 | organic solvents: soluble(lit.)water: very slightly soluble(lit.) |
| Merck | 13,7953 |
| 헨리 상수 | 2.6×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3 |
| InChIKey | WIHMGGWNMISDNJ-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)CC |
| EPA | 1,1-Dichloropropane (78-99-9) |
안전 및 규제
| GHS 분류 | DangerH225 (92.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Propane, 1,1-dichloro- |
| 운송 라벨(DOT) | Combustible Liquid |
| 화재 위험 | Special Hazards of Combustion Products: Emits fumes of phosgene (USCG, 1999)Highly flammable. Heating will cause rise in pressure with risk of bursting. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive. |
| 화재 가능성 | A very dangerous fire hazard when exposed to heat, flame, or oxidizers. |
| 건강 유해성 | INHALATION: May cause some central nervous system depression. EYES: May cause some pain and irritation. SKIN: Mild irritation. (USCG, 1999) |
| 유해성 요약 | A skin and eye irritant[ICSC] Inhalation can cause CNS depressionHigh concentrations may cause lacrimation[HSDB] An irritantInhalation of high concentrations can cause CNS depressionMay damage liver and kidneys[MSDSonline] |
| 반응성 그룹 | Halogenated Organic Compounds |
| UN 분류 | UN Hazard Class: 3UN Subsidiary Risks: 6.1UN Pack Group: II |
| Special Reports | USEPAAmbient Water Quality Criteria Doc: Dichloropropenes and Dichloropropanes (1980) |
| TSCA 요건 | Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Propane, 1,1-dichloro is included on this list. Effective date: 3/7/86Sunset date: 12/19/95. |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | Halogenated aliphatic compounds, such as 1,1-DICHLOROPROPANE, are moderately or very reactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Low molecular weight haloalkanes are highly flammable and can react with some metals to form dangerous products. Materials in this group are incompatible with strong oxidizing and reducing agents. Also, they are incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides. |
| 소화 | Fire Extinguishing Agents: Foam, carbon dioxide, dry chemical. (USCG, 1999)Use water spray, foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 응급 조치 | Fresh air, rest.First rinse with plenty of water for at least 15 minutes, then remove contaminated clothes and rinse again.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. |
| 응급 처치 | Call a doctor.INHALATION: Remove to fresh air. If breathing has stopped, give artificial respiration.EYES: Flush with running water for 15 minutes.SKIN: Wash thoroughly with soap and water.INGESTION: Gastric lavage or emesis and catharsis. (USCG, 1999) |
| 안전 보관 | Separated from strong oxidants, strong bases and food and feedstuffs. Cool. Well closed. Keep in a well-ventilated room. |
| 소화 절차 | Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary. |
| 보관 조건 | 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. Storage class (TRGS 510): Flammable liquids. |
| 정리 방법 | ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. 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. |
| 비화재 누출 대응 | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024) |
| 처리 방법 | 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: 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. |
| 누출 처리 | Evacuate danger area! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. |
| Preventive Measures | ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.Precautions for safe handling: Avoid contact with skin and eyes. Avoid inhalation of vapor 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.SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directionsalso, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024) |
| 생태독성 수치 | LC50Species: Lepomis macrochirus (bluegill) young of year weight 0.32-1.2 gConditions: freshwater, static, 21-23 °C, pH 6.5-7.9, dissolved oxygen 0.3-9.7 mg/LConcentration: 98,000 ug/L for 24 hr /> or = 80% purity/Species: Lepomis macrochirus (bluegill)Concentration: 97,900 ug/L for 96 hrEC50Species: Daphnia magna (Water Flea) age 6-24 hrConditions: freshwater, staticConcentration: 40000 ug/L for 24 hrEffect: intoxication, immobilization /formulation/Species: Daphnia magna (Water Flea) age < or =24 hrConditions: freshwater, static, 22 °C, pH 7.4-9.4, dissolved oxygen 6.5-9.1 mg/LConcentration: 30000 ug/L for 24 hr (95% confidence interval: 20000-45000 ug/L) /> or = 80% purity/For more Ecotoxicity Values (Complete) data for 1,1-Dichloropropane (6 total), please visit the HSDB record page. |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 61(SRC), determined from a structure estimation method(2), indicates that 1,1,-dichloropropane is expected to have high mobility in soil(SRC). Volatilization of 1,1,-dichloropropane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.8X10-3 atm-cu m/mole(SRC), based upon its vapor pressure, 68.3 mm Hg(3), and water solubility, 2,700 mg/L(4). 1,1,-Dichloropropane is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(3). 1,1-Dichloropropane was degraded by an anaerobic enrichment culture able to reductively dechlorinate 1,2-dichloropropane(5)however, biodegradation is not expected to be an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 61(SRC), determined from a structure estimation method(2), indicates that 1,1,-dichloropropane is not 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 3.8X10-3 atm-cu m/mole(SRC), derived from its vapor pressure, 68.3 mm Hg(4), and water solubility, 2,700 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 3 hrs and 4 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 14(SRC), from an estimated log Kow of 2.25(2) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Alkyl halides are susceptible to neutral and basic hydrolysis, but additional halides on a carbon atom markedly decreases the hydrolysis rate(7). 1,1-Dichloropropane was degraded by an anaerobic enrichment culture able to reductively dechlorinate 1,2-dichloropropane(8)however, biodegradation is not expected to be 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), 1,1,-dichloropropane, which has a vapor pressure of 68.3 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 1,1,-dichloropropane 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 19 days(SRC), calculated from its rate constant of 8.5X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 1,1,-Dichloropropane does not contain chromophores that absorb at wavelengths >290 nm(4) and, therefore, is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 유해 작용 | Neurotoxin - Acute solvent syndromeOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| 노출 경로 | The substance can be absorbed into the body by inhalation. |
| 독성 요약 | IDENTIFICATION AND USE: 1,1-Dichloropropane is a liquid. It is used as a solvent for pesticide formulations. HUMAN STUDIES: Inhalation of a high vapor concentration can result in gasping, refusal to breathe, coughing, substernal pain, and extreme respiratory distress at vapor concentration over 1500 ppm. Irritation of eyes and upper respiratory mucosa appears promptly after exposure to concentrated vapors. Lacrimation and headache are prominent. Coma may occur rapidly. Inhalation of a low vapor concentration may cause central nervous depression and moderate irritation of respiratory system. Headache is frequent. Dermal exposure causes severe skin irritation with marked inflammatory response of epidermis and underlying tissues. Oral exposure may lead to acute gastrointestinal distress with pulmonary congestion and edema, as well as central nervous depression, perhaps even in the absence of impaired oxygen uptake. Exposure by any route may cause possible late injuries to liver, kidneys and heart. After inhalation exposures, malaise, headache, chest and abdominal discomfort and irritability have been reported to persist for several weeks and perhaps for several years. ANIMAL STUDIES: It was tested externally on eyes of rabbits and rated 2 on scale of 1-10 according to degree of injury observed after 24 hr, paying particular attention to condition of cornea. Most severe injuries have rated 10. |
| Signs and Symptoms | Dizziness.Redness. Pain. |
| Medical Surveillance | Evaluate the skin, liver, and renal function on a periodic basis, as well as cardiac and respiratory status & general health. |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,1,-dichloropropane can be estimated to be 61(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,1,-dichloropropane is expected to have high mobility in soil(SRC). |
| Atmospheric Concentrations | URBAN/SUBURBAN: 1,1-Dichloropropane was detected, not quantified in ambient air samples from Hoboken, NJ in March of 1976(1). |
| Human Toxicity Excerpts | /SIGNS AND SYMPTOMS/ 1A) Inhalation, high vapor concentration: gasping, refusal to breathe, coughing, substernal pain, and extreme respiratory distress at vapor concentration over 1500 ppm. Irritation of eyes and upper respiratory mucosa appears promptly after exposure to concentrated vapors. Lacrimation and headache are prominent. Coma may occur rapidly. B) Inhalation, low vapor concentration: central nervous depression and moderate irritation of respiratory system. Headache is frequent. 2) Dermal: severe skin irritation with marked inflammatory response of epidermis and underlying tissues. 3) Oral: acute gastrointestinal distress with pulmonary congestion and edema. Central nervous depression, perhaps even in the absence of impaired oxygen uptake. 4) By any route, possible late injuries to liver, kidneys and heart. 5) After inhalation exposures, malaise, headache, chest and abdominal discomfort and irritability have been reported to persist for several weeks and perhaps for several years. |
| Artificial Pollution Sources | 1,1-Dichloropropane's production and use as a laboratory chemical and a chemical intermediate(1,2) may result in its release to the environment through various waste streams(SRC). |
| Environmental Biodegradation | ANAEROBIC: 1,1-Dichloropropane was degraded to 1-chloropropane using anaerobic microcosms and cultures developed from Red Cedar Creek sediment, U.S. location not specified, enriched to be able to reductively dechlorinate 1,2-dichloropropane to propenecomplete biodegradation of 2 umol of 1,1-dichloropropane was observed within 2 weeks(1). |
| CERCLA 보고 수량 | Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 1,000 lb or 454 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b). |
| 청정수법 요건 | 1,1-Dichloropropane is designated as a hazardous substance under section 311(b)(2)(A) of the Federal Water Pollution Control Act and further regulated by the Clean Water Act Amendments of 1977 and 1978. These regulations apply to discharges of this substance. This designation includes any isomers and hydrates, as well as any solutions and mixtures containing this substance. |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | TX9450000 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 독성 | LD50 orally in rats: 6.5 g/kg (Smyth et al.) |
| 위험 문구(R) | 20/21/22-36/37/38-40-11 |
| 위험 표시 | F,Xn |
| 안전 문구(S) | 16-26-36/37/39-45 |
| 포장분류 | II |
| 위험 등급 | 3.1Acute Tox. 4 InhalationCarc. 2Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 3 - Flammable liquids |
| 유해 물질 데이터 | 78-99-9(Hazardous Substances Data) |
용도
용도
1,1-Dichloropropane was used in the synthesis of chloropropenes by undergoing flash vacuum pyrolysis over magnesium.
일반 설명
Colorless watery liquid with a sweet odor. Sinks in water. Produces irritating vapor.