uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653109B2
查看IDENTITY
结构与身份
- 标准SMILES
- CC(=O)/C(C)=N/O
- InChIKey
- FSEUPUDHEBLWJY-HWKANZROSA-N
- 分子式
- C4H7NO2
- 平均分子量
- 101.1 g/mol
- 单同位素质量
- 101.04767847
COMPUTED
结构计算性质
- XLogP
- 0.4
- 极性表面积
- 49.7 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 106
PROPERTIES
实验与物化性质
Solubility
10 to 50 mg/mL at 64 °F (NTP, 1992)
Boiling Point
365 to 367 °F at 760 mmHg (NTP, 1992)
Melting Point
171 to 172 °F (NTP, 1992)
Physical Description
2-oxime 2,3-butanedione is a cream-colored powder. (NTP, 1992)
Cream-colored solid; [CAMEO] White crystalline powder; [Alfa Aesar MSDS]
GHS
GHS分类
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;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.
HAZARDS
危害信息
Regulatory Information
Chemical: 2,3-Butanedione, monooxime
Diacetyl monoxime: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Flash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness.;ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards Summary
Intraperitoneal LD50 (mouse) = 51 mg/kg; Causes diarrhea and weight loss in 23-day intermittent intraperitoneal studies of rats; [RTECS] Symptoms of exposure to this compound may include headache, dizziness, blurred vision, diplopia, nausea, tachycardia, and mild weakness. [NTP] May cause irritation; [Alfa Aesar MSDS]
Reactive Group
Ketones;Oximes
Reactivity Profile
2-OXIME 2,3-BUTANEDIONE may react violently during vacuum distillation above 130 pascals. (NTP, 1992)
Air and Water Reactions
Soluble in water.
Hazard Classes and Categories
Acute Tox. 4 (50%);Acute Tox. 4 (50%);Skin Irrit. 2 (50%);Eye Irrit. 2 (50%);Acute Tox. 4 (50%);STOT SE 3 (50%)
SAFETY
安全与防护
Fire Fighting
Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
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. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;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. 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. Be prepared to transport the victim to a hospital if advised by a physician. 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. IMMEDIATELY transport the victim 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)
Personal Protective Equipment (PPE)
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. (NTP, 1992)
REGULATORY
法规信息
Regulatory Information
Chemical: 2,3-Butanedione, monooxime
Diacetyl monoxime: Does not have an individual approval but may be used under an appropriate group standard
PHARMACOLOGY
药理信息
MeSH Pharmacological Classification
Drugs used to reverse the inactivation of cholinesterase caused by organophosphates or sulfonates. They are an important component of therapy in agricultural, industrial, and military poisonings by organophosphates and sulfonates.
Colorless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into colored compounds; used in biochemical assays and in diagnosis as indicators, especially in the form of enzyme substrates. Synonym: chromogens (not to be confused with pigment-synthesizing bacteria also called chromogens).
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
USES
用途与制造
Uses
Used to determine urea in blood; [ChemIDplus]
General Manufacturing Information
2,3-Butanedione, 2-oxime: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872034B2
查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872034B2
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查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872034B2
查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872034B2
查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872034B2
查看uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07872034B2
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