基本情報
- 標準SMILES
CON.Cl- InChIKey
XNXVOSBNFZWHBV-UHFFFAOYSA-N- 分子式
- CH6ClNO
- 平均分子量
- 83.52 g/mol
- 単同位体質量
- 83.0137915
名称と識別子
- 優先名称
- O-Methylhydroxylamine hydrochloride
- IUPAC
- O-methylhydroxylamine;hydrochloride
- 現地名
- O-メチルヒドロキシルアミン塩酸塩
- 英語名
- Methoxyamine Hydrochloride
- 分子式
- CH5NO.ClH
- 分子量
- 83.52
名称と別名
名称をさらに表示
データベース識別子
- CAS
593-56-6- PubChem CID
- 521874
- DTXSID
DTXSID9025615- ChEMBL
CHEMBL1609430- UNII
- 203546OLMF
- EC Number
- 209-798-7
物性
構造計算による物性
- 極性表面積
- 35.3 Ų
- 水素結合供与体数
- 2
- 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
- 4
実験および物理化学的性質
Physical Description
O-methylhydroxylamine hydrochloride appears as off-white crystals. (NTP, 1992)
Off-white solid; [CAMEO] Colorless hygroscopic solid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 151 · 151-154 °C(lit.)
- 沸点
- 105 · 105-110°C
- 比重(密度)
- 1.1 g/mL · 1.1 g/mL at 25 °C
- 屈折率
- 20 · n20/D 1.4021
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- アルコール: 可溶(lit.)
- 外見
- 結晶性粉末
- 色
- 白色から非常に薄い黄色
- 水溶解度
- 溶ける
- Merck
- 14 · 14,5989
- BRN
- 3589723 · 3589723
- InChI
- 1S/CH5NO.ClH/c1-3-2;/h2H2,1H3;1H
- InChIKey
- XNXVOSBNFZWHBV-UHFFFAOYSA-N
- SMILES
- Cl.CON
- CAS データベース
- 593 · 593-56-6(CAS DataBase Reference)
- EPAの化学物質情報
- O-Methylhydroxylamine hydrochloride (593-56-6)
化学的性質
化学的特性White to very faintly yellow crystalline powder
安全と法規制
GHS分類
GHS Classification
Danger
H302+H312 (46.7%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal];H302 (76.4%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (75.6%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (26.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (27.1%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (80%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (73.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H351 (74.2%): Suspected of causing cancer [Warning Carcinogenicity];H372 (27.1%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure];H373 (52%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (98.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H412 (71.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 225 reports by companies from 22 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
Regulatory Information
Chemical: Hydroxylamine, O-methyl-, hydrochloride
Status: Active Update: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13115;Status: Active Update: 21-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16768
Methoxyammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include burns to the skin, eyes and mucous membranes.;ACUTE/CHRONIC HAZARDS: This compound causes strong irritation to the eyes, skin and mucous membranes on contact. It is corrosive. (NTP, 1992)
Reactivity Profile
In aqueous solution, O-METHYLHYDROXYLAMINE HYDROCHLORIDE behaves as an acid. Materials in this group are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. Corrosive chemicals will destroy the membranes of the mouth, throat, and esophagus and, in addition, have a high risk of being aspirated into the victim's lungs during vomiting which increases the medical problems. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. Transport the victim IMMEDIATELY to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.;RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)
毒性情報
法規制情報
Regulatory Information
Chemical: Hydroxylamine, O-methyl-, hydrochloride
Status: Active Update: 17-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13115;Status: Active Update: 21-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16768
Methoxyammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NC3980000
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2928 00 90
- risk_code
- 34-36/37/38-50-43-20/21/22-37-35
- hazard_code
- C,Xi,N
- hazard_note
- Corrosive/Hygroscopic
- safety_code
- 3-24-26-36/37/39-45-61-24/25-27
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Carc. 2Eye Irrit. 2Met. Corr. 1Skin Irrit. 2Skin Sens. 1STOT RE 1
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
応用分野
用途有機合成原料。
説明Methoxamine hydrochloride, also known as methoxamine hydrochloride, O-methyl hydroxylamine hydrochloride. It is a white crystalline powder, and its fusing point is 149 ~ 152°C, soluble in water, dissolved in alcohol, insoluble in ether and toluene, etc., and the solution is in acid. Methoxamine hydrochloride is an important chemical and medicine intermediate, can be used for the development and printing of color photography and film, and is widely used in the synthesis of medicine, functional dye, low-toxin farm chemicals, and new herbicides. Methoxamine hydrochloride is mainly used in the synthesis of s-generation cephalosporin product cephalofruxin in medical, and sulfamethoxazole; alkynes promise are bright, the synthesis of hydroxyurea, etc.; Agricultural chemicals aspect is then mainly used in the kresoxim-methyl of synthesizing efficient low toxicity.
使用antineoplastic, hydroxymethyltransferase inhibitor
一般的な説明Off-white crystals.
調製方法
純化方法Crystallise the hydrochloride from absolute EtOH or EtOH by addition of diethyl ether. [Kovach et al. J Am Chem Soc 107 7360 1985, Beilstein 1 IV 1252.]
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