基本情報
- 標準SMILES
O=S(Br)Br- InChIKey
HFRXJVQOXRXOPP-UHFFFAOYSA-N- 分子式
- Br2OS
- 平均分子量
- 207.87 g/mol
- 単同位体質量
- 205.80365982
概要
Thionyl bromide is a chemical compound of bromine. 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
- Thionyl bromide
- IUPAC
- Sulfurous dibromide
- 現地名
- チオニルジブロミド
- 英語名
- Thionyl bromide
- 分子式
- Br2OS
- 分子量
- 207.87
名称と別名
名称をさらに表示
データベース識別子
- CAS
507-16-4- PubChem CID
- 68176
- DTXSID
DTXSID0060143- UNII
- N6CU78B13T
- EC Number
- 208-064-3
- Nikkaji
- J2.613A
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 36.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 4
- 形式電荷
- 0
- 複雑度
- 29
実験および物理化学的性質
物理化学的性質
- 融点
- -52 °C · -52 °C (lit.)
- 沸点
- 48 °C/20 · 48 °C/20 mmHg (lit.)
- 比重(密度)
- 2.683 g/mL · 2.683 g/mL at 25 °C (lit.)
- 蒸気圧
- 10 mm · 10 mm Hg ( 31 °C)
- 屈折率
- 20 · n20/D 1.675(lit.)
- 闪点
- 156 °C · 156°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- ベンゼン、トルエン、エーテルと混和します。
- 外見
- 黄色い液体
- 比重
- 2.683 · 2.683
- 色
- yellow liquid
- 水溶解度
- 4 · 水中で加水分解可能; ベンゼン、クロロホルム、CCl4 と混和性 [MER06]
- Merck
- 14 · 14,9347
- Dielectric constant
- 13 · 13.0(20℃)
- InChI
- 1S/Br2OS/c1-4(2)3
- InChIKey
- HFRXJVQOXRXOPP-UHFFFAOYSA-N
- SMILES
- BrS(Br)=O
- CAS データベース
- 507 · 507-16-4(CAS DataBase Reference)
- NISTの化学物質情報
- Thionyl bromide(507-16-4)
- EPAの化学物質情報
- Thionyl bromide (507-16-4)
化学的性質
化学的特性Orange-yellow liquid. On prolonged standing, slowly decomposes into SO2, Br2 and S2Br2 and turns reddish; very sensitive to moisture. M.p. -49.5°C. Its thermal stability is poor and therefore SOBr2 can be distilled only in vacuum.
安全と法規制
GHS分類
GHS Classification
Danger
H312 (90.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazards Summary
Hydrolyzed by water; A severe skin, eye, mucous membrane, and respiratory tract irritant; [Merck Index] Reacts violently with water; Causes burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract and pulmonary edema; [Alfa Aesar MSDS] See Thionyl fluoride and Thionyl chloride.
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
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3264 8/PG 1
- risk_code
- 14-20/21-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 DermalSkin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
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
応用分野
使用Thionyl Bromide is used in the preparation of carbon nanotube-phosphorylcholine polymer composite used in blood condition.
調製方法
製造方法Reaction of SO2 with Br2 in the presence of PCl3: 64 g. of SO2 is added to a mixture of 138 g. of PCl3 and 160 g. of Br2 , while the reactor is cooled. The yield, after fractional distillation, is 180 g. of SOBr2.
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