Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,1-디브로모에탄
1,1-디브로모에탄 · CH3CHBr2 · ETHYLIDENE BROMIDE · 1,1-EDB · 1,1-Dibromethan · 1,1-DIBROMOETHANE · 1,1-dibromo-ethan · Ethane,1,1-dibromo-
식별자 및 물리적 특성
| CAS No. | 25620-62-6 |
|---|---|
| 분자식 | C2H4Br2 |
| 평균 분자량 | 187.86 g/mol |
| 단동위원소 질량 | 185.86797433 g/mol |
| SMILES | CC(Br)Br |
| InChIKey | APQIUTYORBAGEZ-UHFFFAOYSA-N |
| PubChem CID | 11201 |
| EC No. | 209-184-9 |
| DTXSID | DTXSID3060324 |
| 현지명 | 1,1-디브로모에탄 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 0 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 4 |
| 형식 전하 | 0 |
| 복잡도 | 11.5 |
| 물질 분류 | Other Classes -> Halogenated Aliphatics, Saturated |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 2.0555 g/cu cm at 20 °C2.06 |
| Color/Form | Liquid |
| 용해도 | Soluble in ethanol, acetone, and benzeneslightly soluble in chloroformvery soluble in ether.아세토니트릴(약간 용해됨), 클로로포름(수용성) |
| 끓는 점 | 108.0 °C107 °C |
| Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen bromide/. |
| 녹는점 | -63 °C-63°C |
| 증기압 | 25.6 [mmHg]2.56X10+1 mm Hg at 25 °C |
| 굴절률 | Index of refraction = 1.5128 at 20 °C1.509-1.512 |
| Physical Description | Liquid[HSDB] Clear, slightly brown liquidStabilized with potassium carbonate[MSDSonline] |
| Other Experimental Properties | Hydroxyl radical reaction rate constant = 2.50X10-13 cu cm/molecule-sec at 25 °C |
| 용해도 | 물에 불용성 |
| 물리적 상태 | 액체 |
| 색상 | 무색투명~갈색 |
| 비중 | 2.1 |
| 비열 | Cp(gas): 0.43 J/(g·K), at 25℃ |
| 헨리 상수 | 7.6×10-3 mol/(m3Pa) at 25℃, HSDB (2015) |
| EPA | Ethylidene bromide (557-91-5) |
화학적 성질
clear colourless to brownish liquid
안전 및 규제
| GHS 분류 | DangerH301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 유해성 요약 | A mutagen[RTECS] Not mutagenic to Salmonella typhimurium (TA 102 and TA 2638) or two strains of Escherichia coliHighly genotoxic and cytotoxic to Salmonella typhimurium tester strain NM5004, but not to original host strain TA 1535Emergency medical treatment: see 1-Bromopropane. [HSDB] May cause irritation[MSDSonline] |
| Hazard Classes and Categories | Acute Tox. 3 (66.7%) |
| Hazardous Reactivities and Incompatibilities | Violent reaction with magnisium. |
| Treatment | EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration. |
| 건강 영향 | Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627) |
| 환경 거동 | TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 35(SRC), determined from a structure estimation method(2), indicates that 1,1-dibromoethane is expected to have very high mobility in soil(SRC). Volatilization of 1,1-dibromoethane from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-3 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1,1-Dibromoethane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 25.6 mm Hg(4). Biodegradation data are not available for 1,1-dibromoethane(SRC, 2005).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 35(SRC), determined from a structure estimation method(2), indicates that 1,1-dibromoethane 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 1.3X10-3 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 2 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 6(SRC), from an estimated log Kow of 1.9(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The rate constant measured for the neutral hydrolysis reaction of 1,1-dibromoethane is 2.4X10-7 per minute at 25 °C which corresponds to a half-life of 5.5 years(7). Biodegradation data are not available for 1,1-dibromoethane(SRC, 2005).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1-dibromoethane, which has a vapor pressure of 25.6 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,1-dibromoethane 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 64 days(SRC), calculated from its rate constant of 2.50X10-13 cu cm/molecule-sec at 25 °C(3). 1,1-Dibromoethane does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC). |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 노출 경로 | Oral (L626)inhalation (L626)dermal (L626) |
| 독성 요약 | Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543) |
| Signs and Symptoms | Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627) |
| Effluent Concentrations | 1,1-Dibromoethane was detected (concentration <10 ug/L) in industrial effluent samples from only 1 out of 63 locations sampled across the United States(1). |
| Soil Adsorption/Mobility | Using a structure estimation method based on molecular connectivity indices(1), the Koc of 1,1-dibromoethane can be estimated to be 35(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1,1-dibromoethane is expected to have very high mobility in soil. |
| Artificial Pollution Sources | 1,1-Dibromoethane's production and use as a research chemical(1) may result in its release to the environment through various waste streams(SRC). |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| Environmental Bioconcentration | An estimated BCF of 6 was calculated for 1,1-dibromoethane(SRC), using an estimated log Kow of 35(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(SRC). |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | KH9000000 |
| 운송 번호(UN) | 2810 |
| 관세 코드 | 29033990 |
| 위험 문구(R) | 40-20/21/22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 45-36/37 |
| 포장분류 | III |
| 위험 등급 | 6.1(b) |
| 유해 물질 데이터 | 557-91-5(Hazardous Substances Data) |