Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디클로로(1,3-)-2-부텐
디클로로(1,3-)-2-부텐 · 1,3-다이클로로-2-부텐 · 1,3-DICHLORO-2-부텐 · Isomerengemisch · 1,3-Dichlor-2-buten · 1,3-dichlorobutylene · 1,3-Dichlor-2-butene · 1,3-dichloro-2-buten
식별자 및 물리적 특성
| CAS No. | 926-57-8 |
|---|---|
| 분자식 | C4H6Cl2 |
| 평균 분자량 | 124.99 g/mol |
| 단동위원소 질량 | 123.98465555 g/mol |
| SMILES | CC(Cl)=CCCl |
| InChIKey | WLIADPFXSACYLS-UHFFFAOYSA-N |
| PubChem CID | 13556 |
| EC No. | 213-138-3 |
| DTXSID | DTXSID7027338 |
| 현지명 | 디클로로(1,3-)-2-부텐 |
화학 및 물리적 성질
| XLogP | 2.1 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 56.6 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, UnsaturatedFlammable agents - 3rd degree |
| LogP(분배 계수) | 2.84 |
| 밀도 | 1.161Relative density (water = 1): 1.2 |
| Color/Form | CLEAR TO STRAW-COLORED LIQUID |
| 용해도 | INSOL IN WATERSOL IN MOST COMMON ORGANIC SOLVENTSSoluble in acetone, benzene, ether and ethanolSolubility in water: reaction |
| 인화점 | 27 °C80 °F (CLOSED CUP)27 °C c.c.33 °C |
| 끓는 점 | 131 °C126 °C125-129 °C |
| Decomposition | When heated to decomposition it emits toxic vapros of /hydrogen chloride/. |
| 녹는점 | -75 °C-27.02°C (estimate) |
| 증기 밀도 | 4.31 (Air = 1)Relative vapor density (air = 1): 4.3 |
| 증기압 | 12.6 [mmHg]Vapor pressure, kPa at 25 °C: 1.33 |
| 굴절률 | Index of refraction: 1.4692 @ 20 °C/D1.469-1.473 |
| 저장 조건 | 0-6°C |
| 용해도 | 물에 불용성 |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색~연황색 |
| BRN | 906754 |
| 헨리 상수 | 2.6×10-4 mol/(m3Pa) at 25℃, HSDB (2015) |
| EPA | 2-Butene, 1,3-dichloro- (926-57-8) |
화학적 성질
clear yellow to brown liquid
안전 및 규제
| GHS 분류 | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | REACH registered substance: 1,3-dichlorobut-2-ene (EC: 213-138-3)The 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.) |
| 화재 위험 | Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 27 °C explosive vapour/air mixtures may be formed. |
| 화재 가능성 | FIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME. |
| 유해성 요약 | A skin, eye, and respiratory tract irritantExposure to high vapor concentrations can cause severe respiratory distress, lacrimation, and possibly comaInhalation of low concentrations may cause CNS depressionMay cause kidney, liver, and heart injuryEmergency medical treatment: chlorinated hydrocarbon insecticides[HSDB] Corrosive to rabbit skinOccupational exposures demonstrate irritation and corrosive injuries to skin, with the vapor causes eye and respiratory tract irritationA possible carcinogen based on the structural analog 1,3-Dichloropropene (DCP) CAS # 542-75-6, which has an IARC classification of possible human carcinogenNo evidence of reproductive or developmental toxicity in rats or rabbits[SIDS UNEP] |
| UN 분류 | UN Hazard Class: 3UN Pack Group: III |
| Special Reports | A REVIEW WITH 17 REFERENCES ON TOXICITY OF CHLOROPRENE, 1,3-DICHLORO-2-BUTENE & 1,4-DICHLORO-BUTENE.[CLARY JJTOXICITY OF CHLOROPRENE, 1,3-DICHLORO-2-BUTENE, & 1,4-DICHLORO-2-BUTENEENVIRON HEALTH PERSPECT 21: 269 (1977)] |
| Chemical Dangers | Decomposes on heating. This produces hydrogen chloride. |
| NFPA Hazard Classification | 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Toxic Combustion Products | When heated to decomposition it emits toxic vapros of /chloride/. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Flammable agents - 3rd degree, Reactive agents - 2nd degree |
| Explosive Limits and Potential | Explosive limits , vol% in air: 2-13 |
| 소화 | Use fine water spray, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water. |
| 응급 조치 | Fresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.Rinse with plenty of water (remove contact lenses if easily possible). Refer immediately for medical attention.Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention. |
| 안전 보관 | Fireproof. Ventilation along the floor. Well closed. Separated from strong oxidants and food and feedstuffs. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing. |
| 소화 절차 | FOAM, CARBON DIOXIDE, DRY CHEMICAL...If material on fire or involved in fire: Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use foam, dry chemical, or carbon dioxide. Use water spray to knock-down vapors. /Dichlorobutene/ |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 누출 처리 | Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. |
| Preventive Measures | 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.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. Use water spray to knock-down vapors. /Dichlorobutene/Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. ... Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. If contact with the material anticipated, wear appropriate chemical protective clothing. /Dichlorobutene/ |
| Eye Prevention | Wear face shield or eye protection in combination with breathing protection. |
| Fire Prevention | NO open flames, NO sparks and NO smoking. Above 27 °C use a closed system and ventilation. |
| Inhalation Risk | A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C. |
| Skin Prevention | Protective gloves. Protective clothing. |
| Exposure Prevention | STRICT HYGIENE! |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-2-butene is expected to have high mobility in soil(SRC). Volatilization of 1,3-dichloro-2-butene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 3.8X10-2 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 1,3-dichloro-2-butene from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 12.6 mm Hg(SRC), determined from a fragment constant method(4). The neutral hydrolysis half-life of a structurally similar compound, 1,4-dichloro-2-butene has been measured as 3.2 days(5). This suggests that 1,3-dichloro-2-butene may also undergo hydrolysis in moist soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 125(SRC), determined from a structure estimation method(2), indicates that 1,3-dichloro-2-butene 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 3.8X10-2 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1 hour and 4.4 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 30(SRC), from an estimated log Kow of 2.84(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. The neutral hydrolysis half-life of a structurally similar compound, 1,4-dichloro-2-butene has been measured as 3.2 days(8). This suggests that 1,3-dichloro-2-butene may also undergo hydrolysis in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-dichloro-2-butene, which has an estimated vapor pressure of 12.6 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 1,3-dichloro-2-butene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC). The half-life for the reaction in air with hydroxyl radicals is estimated to be 27 hours(SRC), calculated from its rate constant of 1.4X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The half-life for the reaction in air with ozone is estimated to be 8 days(SRC), calculated from its rate constants of 1.4X10-18 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). |
| 유해 작용 | Neurotoxin - Other CNS neurotoxin |
| 노출 경로 | The substance can be absorbed into the body in hazardous amounts by inhalation of its vapour, through the skin and by ingestion. Serious local effects by all routes of exposure. |
| Signs and Symptoms | Cough. Sore throat.Redness. Pain. Skin burns.Cough. Burning sensation in the throat and chest. |
| Effluent Concentrations | Dichlorobutene (isomer not specified) was detected in 1 of 63 industrial effluents (concn of 10-100 ug/L) collected from a wide range of chemical manufacturers across the US(1). |
| ICSC Environmental Data | The substance is toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment. |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1,3-dichloro-2-butene can be estimated to be 125(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,3-dichloro-2-butene is expected to have high mobility in soil. |
| Human Toxicity Excerpts | Symptomatology: 1A) Inhalation, high vapor concn: gasping, refusal to breathe, coughing, substernal pain, & extreme respiratory distress at vapor concn over 1500 ppm. Irritation of eyes & upper respiratory mucosa appears promptly after exposure to concentrated vapors. Lacrimation & headache are prominent. Coma may occur rapidly. B) Inhalation, low vapor concn: central nervous depression & moderate irritation of respiratory system. Headache is frequent. 2) Dermal: severe skin irritation with marked inflammatory response of epidermis & underlying tissues. 3) Oral: acute gastrointestinal distress with pulmonary congestion & edema. Central nervous depression, perhaps even in the absence of impaired oxygen uptake. 4) By any route, possible late injuries to liver, kidneys & heart. 5) After inhalation exposures, malaise, headache, chest & abdominal discomfort & irritability have been reported to persist for several weeks & perhaps for several years. |
| Artificial Pollution Sources | 1,3-Dichloro-2-butene's occurrence as a by-product in the production of chloroprene(1) may release the compound to the environment(SRC). |
| Environmental Bioconcentration | An estimated BCF of 30 was calculated for 1,3-dichloro-2-butene(SRC), using an estimated log Kow of 2.84(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low. |
| Volatilization from Water/Soil | The Henry's Law constant for 1,3-dichloro-2-butene is estimated as 3.8X10-2 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1,3-dichloro-2-butene is expected to volatilize rapidly from water surfaces(2). 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)(2) is estimated as 1 hour(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 4.4 days(SRC). 1,3-Dichloro-2-butene's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,3-dichloro-2-butene from dry soil surfaces may exist(SRC) based upon an estimated vapor pressure of 12.6 mm Hg(SRC), determined from a fragment constant method(3). |
| Non-Human Toxicity Excerpts | Toxicity of chlorinated butenes depended on the number of Cl atoms and their positions. Dichlorobutenes, for example, were more toxic than the trichlorobutenes. ... Among 3 dichlorobutenes, 1,4-dichloro-2-butene with Cl atoms both on the terminal C and in allylic position was most toxic. In 1,3-dichloro-2-butene, the same Cl is both terminal and allylic and is moderately toxic3,4-dichloro-1-butene was the least toxic. The toxicity may be increased by oxidation of the double bond and migration of Cl to the terminal C atom or by forming a chloroanhydride group. |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | EM4760000 |
| 운송 번호(UN) | 1993 |
| 관세 코드 | 29032900 |
| 위험 문구(R) | 36/37/38-20-10 |
| 위험 표시 | Xn |
| 안전 문구(S) | 37/39-26 |
| 포장분류 | III |
| 위험 등급 | 3 |
| 유해 물질 데이터 | 926-57-8(Hazardous Substances Data) |