基本情報
- 標準SMILES
CC(Br)Br- InChIKey
APQIUTYORBAGEZ-UHFFFAOYSA-N- 分子式
- C2H4Br2
- 平均分子量
- 187.86 g/mol
- 単同位体質量
- 185.86797433
概要
1,1-Dibromoethane is an organobromide compound. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625)
名称と識別子
- 優先名称
- 1,1-Dibromoethane
- IUPAC
- 1,1-dibromoethane
- 現地名
- 1,1-ジブロモエタン
- 英語名
- 1,1-Dibromoethane
- 分子式
- C2H4Br2
- 分子量
- 187.86
名称と別名
名称をさらに表示
データベース識別子
- CAS
25620-62-6、557-91-5- PubChem CID
- 11201
- DTXSID
DTXSID3060324- UNII
- KJ8ZJY72QQ
- EC Number
- 209-184-9
- Nikkaji
- J2.663H
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 0
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 11.5
実験および物理化学的性質
Vapor Pressure
25.6 [mmHg]
2.56X10+1 mm Hg at 25 °C
物理化学的性質
- 融点
- -63 °C · -63°C
- 沸点
- 107 °C · 107 °C
- 比重(密度)
- 2.06 · 2.06
- 屈折率
- 1.509 · 1.509-1.512
- 水溶解度
- Insoluble in water
- 溶解性
- Acetonitrile (Slightly), Chloroform (Soluble)
- 外見
- 液体
- 色
- 無色透明~褐色
- 比重
- 2.1 · 2.1
- 比熱容量
- 0.43 J/ · Cp(gas): 0.43 J/(g·K), at 25℃
- Henry's Law Constant
- 7.6 · 7.6×10-3 mol/(m3Pa) at 25℃, HSDB (2015)
- CAS データベース
- 557 · 557-91-5(CAS DataBase Reference)
- EPAの化学物質情報
- Ethylidene bromide (557-91-5)
化学的性質
化学的特性clear colourless to brownish liquid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (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.
危険有害性情報
Hazards Summary
A mutagen; [RTECS] Not mutagenic to Salmonella typhimurium (TA 102 and TA 2638) or two strains of Escherichia coli; Highly genotoxic and cytotoxic to Salmonella typhimurium tester strain NM5004, but not to original host strain TA 1535; Emergency medical treatment: see 1-Bromopropane. [HSDB] May cause irritation; [MSDSonline]
毒性情報
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.
Health Effects
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)
Environmental Fate
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).
Toxicity Summary
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)
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.
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).
安全データ
- tsca
- TSCA listed
- rtecs
- KH9000000
- ridadr
- 2810
- hs_code
- 29033990
- risk_code
- 40-20/21/22
- hazard_code
- Xn
- safety_code
- 45-36/37
- hazard_class
- 6.1(b)
- packing_group
- III
- 有毒物質データの
- 557-91-5(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/Metabolites
Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)
用途と製造
Uses
Used as a research chemical; [HSDB]
Research chemical
応用分野
解説1,1-ジブロモエタン:Br2CHCH3,臭化エチリデンともいう.臭化ビニルに臭化水素を付加させると得られる.液体.沸点112.5 ℃(103.3 kPa).水と加熱するとアセトアルデヒドになる.
用途有機合成原料。
上流・下流製品情報
上流原料
下流製品
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