基本情報
- 標準SMILES
O=C(Cl)C(F)(F)Br- InChIKey
LYJKGSALBRSKNL-UHFFFAOYSA-N- 分子式
- C2BrClF2O
- 平均分子量
- 193.37 g/mol
- 単同位体質量
- 191.87891
名称と識別子
- 優先名称
- Bromodifluoroacetyl chloride
- IUPAC
- 2-bromo-2,2-difluoroacetyl chloride
- 現地名
- ブロモジフルオロアセチルクロライド 塩化物 臭化物
- 英語名
- Bromodifluoroacetyl chloride
- 分子式
- C2BrClF2O
- 分子量
- 193.37
名称と別名
名称をさらに表示
データベース識別子
- CAS
3832-48-2- PubChem CID
- 520892
- DTXSID
DTXSID90334487- EC Number
- 671-811-0
- Nikkaji
- J2.470.696F
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 93
物理化学的性質
- 沸点
- 50 °C · 50 °C
- 比重(密度)
- 2.053 · 2.053±0.06 g/cm3(Predicted)
- 屈折率
- 1.3853 · 1.3853
- 外見
- liquid
- 色
- Clear, colourless
- InChI
- InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7
- InChIKey
- LYJKGSALBRSKNL-UHFFFAOYSA-N
- SMILES
- C(Cl)(C(Br)(F)F)=O
- CAS データベース
- 3832 · 3832-48-2(CAS DataBase Reference)
安全と法規制
GHS分類
GHS Classification
Danger
H226 (90.9%): Flammable liquid and vapor [Warning Flammable liquids];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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.
危険有害性情報
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)
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)
安全データ
- ridadr
- 3265
- hs_code
- 29161900
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-36/37/39
- hazard_class
- CORROSIVE
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
It is used as a starting material for the synthesis of (biologically active) _,_-difluoro-_-lactams and the synthesis of trifluoromethylated C-nucleosides. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.
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