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1,1-ジブロモエタン

1,1-Dibromoethane

HCID 11201
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印刷プレビュー
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
25620-62-6
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

1,1-DIBROMOETHANE557-91-5DIBROMOETHANEEthylidene bromideEthylidene dibromideEthane, 1,1-dibromo-HSDB 7382KJ8ZJY72QQEINECS 209-184-9CCRIS 8552CH3CHBr2DIBROMOETHANE, 1,1-
名称をさらに表示
1,1-ジブロモエタンエチリデンジブロミド二臭化エチリデン臭化エチリデン1,1ジブロモエタンエチリデンブロミド1,1‐ジブロモエタン1,1-EDB1,1-Dibromethan1,1-dibromo-ethanEthane,1,1-dibromo-ethylidenedibromide1,1-DIBROMOETHANE STABILIZED 99%
DTXSID30603241,1-DIBROMOETHANE [HSDB]Ethane, 1,1dibromoRefChem:409764DTXCID9041944DTXCID301516055DTXSID801031002209-184-9

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

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Density2.0555 g/cu cm at 20 °C
Color/FormLiquid
SolubilitySoluble in ethanol, acetone, and benzene; slightly soluble in chloroform; very soluble in ether.
Boiling Point108.0 °C
DecompositionWhen heated to decomposition it emits toxic fumes of /hydrogen bromide/.
Melting Point-63 °C
Vapor Pressure · 2 件

25.6 [mmHg]

2.56X10+1 mm Hg at 25 °C

Refractive IndexIndex of refraction = 1.5128 at 20 °C
Physical DescriptionLiquid; [HSDB] Clear, slightly brown liquid; Stabilized with potassium carbonate; [MSDSonline]

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

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 · 1 件

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]

Hazard Classes and CategoriesAcute Tox. 3 (66.7%)
Hazardous Reactivities and IncompatibilitiesViolent reaction with magnisium.

毒性情報

Treatment · 1 件

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.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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 · 2 件

Used as a research chemical; [HSDB]

Research chemical

General Manufacturing InformationEthane, 1,1-dibromo-: ACTIVE

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

2-ブロモプロパンアミドブロモエタンジブロモメタンヨードメタンアセチレン

下流製品

4-フルオロ-2-メチル安息香酸1,1,2-トリブロモエタン

関連反応

463 件
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HRID 8528 の反応式
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HRID 15074 の反応式
HRID 15074反応物としてuspto-grants-2010_06
HRID 22039 の反応式
HRID 22039反応物としてuspto-grants-1995_06
HRID 22041 の反応式
HRID 22041反応物としてuspto-grants-1995_06
HRID 22134 の反応式
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HRID 22623 の反応式
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1 / 58 ページ

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Other Experimental Properties
Hydroxyl radical reaction rate constant = 2.50X10-13 cu cm/molecule-sec 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

Health Effects · 1 件

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 · 3 件

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).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1 件

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 · 1 件

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 Concentrations1,1-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 · 1 件

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 Sources1,1-Dibromoethane's production and use as a research chemical(1) may result in its release to the environment through various waste streams(SRC).
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Environmental Bioconcentration · 1 件

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)
ビニルブロミド
1,1-ジクロロエタン