基本情報
- 標準SMILES
BrI- InChIKey
CBEQRNSPHCCXSH-UHFFFAOYSA-N- 分子式
- BrI
- 平均分子量
- 206.81 g/mol
- 単同位体質量
- 205.8228101
概要
used for analysis of phenols; RN given refers to cpd with MF Br-I
名称と識別子
- 優先名称
- Iodine bromide (IBr)
- 現地名
- ヨード臭素
- 英語名
- Iodine monobromide
- 分子式
- BrI
- 分子量
- 206.81
名称と別名
名称をさらに表示
データベース識別子
- CAS
7789-33-5- PubChem CID
- 82238
- DTXSID
DTXSID2064862- UNII
- G0K622RD9N
- EC Number
- 232-159-9
- Nikkaji
- J96.353D
物性
構造計算による物性
- XLogP
- 1.8
- 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
- 2
- 形式電荷
- 0
- 複雑度
- 2
実験および物理化学的性質
Color/Form
Crystals, purplish-black mass
Black orthorhombic crystals
Dark red solid
Brownish-black crystals or very hard solid
Solubility
Soluble in water
Soluble in water with decomposition
Soluble in carbon disulfide, glacial acetic acid
Soluble in alcohol, ether
物理化学的性質
- 融点
- 42 · 42-50 °C (lit.)
- 沸点
- 116 °C · 116 °C
- 比重(密度)
- 4.416 g/mL · 4.416 g/mL at 25 °C (lit.)
- 闪点
- 116 °C · 116°C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Aqueous Base (Slightly), Methanol (Slightly), Water (Slightly)
- 外見
- 解決
- 色
- 暗赤色
- 比重
- 4.4157 · 4.4157
- PH
- 1 · <1 (H2O, 20°C)
- 水溶解度
- 水、アルコール、エーテル、二硫化炭素、氷酢酸に可溶。
- 比熱容量
- 0.18 J/ · Cp(gas): 0.18 J/(g·K), at 25℃
- Merck
- 14 · 14,5016
- BRN
- 3902973 · 3902973
- Henry's Law Constant
- 2.4 · 2.4×10-1 mol/(m3Pa) at 25℃, Wagman et al. (1982)
- 安定性
- Light Sensitive
- InChI
- 1S/BrI/c1-2
- InChIKey
- CBEQRNSPHCCXSH-UHFFFAOYSA-N
- SMILES
- BrI
- CAS データベース
- 7789 · 7789-33-5(CAS DataBase Reference)
- EPAの化学物質情報
- Iodine bromide (IBr) (7789-33-5)
化学的性質
化学的特性A dark grey to brownish-black crystalline mass that can be dissolved in ethanol, ether, chloroform, carbon disulphide, and other solvents. When it is heated, it becomes partially dissociated. It can prepared by the action of iodine with bromine in a stream of nitrogen. It is used in organic synthesis.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.
Danger
H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
危険有害性情報
Regulatory Information
Chemical: Iodine bromide (IBr)
Iodine monobromide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Vapors corrosive to mucous membranes and eyes; [Merck Index] Corrosive to skin and eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline] See Bromine. See Iodine.
安全と保護具
Fire Fighting Procedures
Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.
Cleanup Methods
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.
Disposal Methods
SRP: Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.
Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber; Contaminated packaging: Dispose of as unused product.
Preventive Measures
ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Do not let product enter drains.
Precautions for safe handling: Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection.
Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.
Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.
Personal Protective Equipment (PPE)
Eye/face protection: Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection: Handle with gloves.
Body Protection: Complete suit protecting against chemicals. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection: Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with multipurpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU).
毒性情報
Antidote and Emergency Treatment
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Bromine, methyl bromide, and related compounds/
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . /Bromine, methyl bromide, and related compounds/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) or lorazepam (Ativan) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Bromine, methyl bromide, and related compounds/
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Iodine and related compounds/
For more Antidote and Emergency Treatment (Complete) data for Iodobromine (6 total), please visit the HSDB record page.
安全データ
- F
- 1-8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3264 8/PG 2
- hs_code
- 3822 00 00
- risk_code
- 34-35-10-40-20/21/22-67-37
- 安衛法
- 57,57-2
- hazard_code
- C
- safety_code
- 26-36/37/39-45-28-27
- hazard_class
- 8
- packing_group
- II
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
- 有毒物質データの
- 7789-33-5(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used in organic synthesis; [Hawley] Used for analysis of phenols; [ChemIDplus]
MEDICATION
Organic synthesis.
応用分野
解説臭化ヨウ素ヨウ素と臭素の化合物.確実なのは,IBrのみである.IBr(206.81)は一臭化ヨウ素ともいう.Br2 と I2 との直接反応で得られる.黒褐色(透過光では赤色)の斜方晶系結晶.気体IBr分子ではI-Br2.48 Å.結晶ではI-Br…I-Br…のジクザグ鎖状構造.I-Br1.52 Å.融点41 ℃,沸点116 ℃(分解).密度4.416 g cm-3(20 ℃).水,エタノール,エーテル,CS2に可溶.水では加水分解が起こり,HIOとHBrを生じる.気体は赤色で,臭素に似た臭いをもち,皮膚や粘膜をおかす.臭素化剤に用いられる.有毒.
使用Iodine monobromide is used as an electrophile employed in a new synthetic approach to polyketide structural units. It is also used in iodometry and serves as a source of I+. It is a powerful iodinating agent used in organic synthesis as well as involved in the synthesis of radioiodinated fatty acids for heart imaging.
調製方法
製造方法Prepared from the elements, excess Br is removed by heating to 50 °C in a current of CO2.
純化方法The brown-black crystals are purified by repeated fractional crystallisation from its melt. The vapour dissociates on heating [Yost et al. J Amer Chem Soc 55 552 1933, Schmeisser in Handbook of Preparative Inorganic Chemistry (Ed. Brauer) Academic Press Vol I pp 291-292 1963].
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