基本信息
- 标准SMILES
O=[N+]([O-])c1cc[n+]([O-])cc1- InChIKey
RXKNNAKAVAHBNK-UHFFFAOYSA-N- 分子式
- C5H4N2O3
- 平均分子量
- 140.1 g/mol
- 单同位素质量
- 140.02219199
概述
Pyridine, 4-nitro-, 1-oxide is a solid. (EPA, 1998)
名称与标识
- 首选名称
- 4-Nitropyridine N-oxide
- IUPAC
- 4-nitro-1-oxidopyridin-1-ium
- 中文名
- 4-硝基吡啶-N-氧化物
- 英文名
- 4-Nitropyridine N-oxide
- 分子式
- C5H4N2O3
- 分子量
- 140.1
名称与别名
展开更多名称
数据库标识
- CAS
1124-33-0- PubChem CID
- 14300
- DTXSID
DTXSID9041524- ChEMBL
CHEMBL3187617- UNII
- ULB29Z652D
- EC Number
- 214-395-4
- Nikkaji
- J3.660I
性质
结构计算性质
- XLogP
- -0.6
- 极性表面积
- 71.3 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 0
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 125
实验与物化性质
Physical Description
Pyridine, 4-nitro-, 1-oxide is a solid. (EPA, 1998)
Solid; [CAMEO] Crystalline solid; [MSDSonline]
物理化学性质
- 熔点
- 159 · 159-162 °C (lit.)
- 沸点
- 256.56 °C · 256.56°C (rough estimate)
- 密度
- 1.5657 · 1.5657 (rough estimate)
- 折射率
- 1.48 · 1.4800 (estimate)
- 储存条件
- Inert atmosphere,Room Temperature
- 溶解度
- soluble in DMSO
- 酸度系数(pKa)
- -1.37 · -1.37±0.10(Predicted)
- 形态
- Crystals or Powder
- 颜色
- Yellow to brown
- 水溶解性
- insoluble
- BRN
- 124331 · 124331
- InChI
- InChI=1S/C5H4N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
- InChIKey
- RXKNNAKAVAHBNK-UHFFFAOYSA-N
- SMILES
- C1[N+]([O-])=CC=C([N+]([O-])=O)C=1
- CAS 数据库
- 1124 · 1124-33-0(CAS DataBase Reference)
- NIST化学物质信息
- -1 · Pyridine-1-oxide, 4-nitro-(1124-33-0)
- EPA化学物质信息
- 4 · 4-Nitropyridine-1-oxide (1124-33-0)
化学性质
黄色片状晶体
安全与法规
GHS分类
GHS Classification
Danger
H301 (90%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危害信息
CERCLA Reportable Quantities
Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Pyridine, 4-nitro-, 1-oxide is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 or 10,000 lbs. Extremely hazardous substances that are solids are subject to either of two threshold planning quantities ... The lower quantity applies only if the solid exists in powdered form and has a particle size less than 100 microns; or is handled in solution or in molten form; or meets the criteria for a National Fire Protection Association (NFPA) rating of 2, 3 or 4 for reactivity. If the solid does not meet any of these criteria, it is subject to the upper ... threshold planning quantity ... .
安全与防护
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Protective Action Criteria (PAC)
0.32 [mg/m3]
3.5 [mg/m3]
21 [mg/m3]
Personal Protective Equipment (PPE)
For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
... WORKERS SHOULD BE PROVIDED WITH PERSONAL PROTECTIVE EQUIPMENT. A CHARCOAL GAS-MASK CANISTER RESPIRATOR HAS BEEN ... EFFECTIVE ... . /PYRIDINE/
RUBBER & PLASTIC GLOVES SHOULD NOT BE RELIED UPON TO PREVENT SKIN CONTACT BECAUSE ... MANY ... . /PYRIDINE/ DERIV PENETRATE THESE MATERIALS. /PYRIDINE/
Depending on the extent of possible contact, workers should be provided with personal protective equipment. A charcoal gas mask canister respirator has been found to be effective against a 2% pyridine concentration at 30 l/min for 1 hr. Rubber and plastic gloves should not be relied upon to prevent skin contact because pyridine and many of its derivatives penetrate these materials ... . /Pyridine, homologues, and derivatives/
毒理信息
Antidote and Emergency Treatment
/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. 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 normal saline 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 ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
法规信息
CERCLA Reportable Quantities
Releases of CERCLA hazardous substances are subject to the release reporting requirement of CERCLA section 103, codified at 40 CFR part 302, in addition to the requirements of 40 CFR part 355. Pyridine, 4-nitro-, 1-oxide is an extremely hazardous substance (EHS) subject to reporting requirements when stored in amounts in excess of its threshold planning quantity (TPQ) of 500 or 10,000 lbs. Extremely hazardous substances that are solids are subject to either of two threshold planning quantities ... The lower quantity applies only if the solid exists in powdered form and has a particle size less than 100 microns; or is handled in solution or in molten form; or meets the criteria for a National Fire Protection Association (NFPA) rating of 2, 3 or 4 for reactivity. If the solid does not meet any of these criteria, it is subject to the upper ... threshold planning quantity ... .
安全数据
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orl-rat: 107 mg/kg JWMAA9 29,830,65
- RTECS号
- UT6380000
- 包装类别
- III
- 危险等级
- 6.1
- 安全说明
- 26-45-37/39-28A-36-22
- 海关编码
- 29333999
- 危险品标志
- T
- 危险类别码
- 25-36/37/38-40-23/24/25
- 毒害物质数据
- 1124-33-0(Hazardous Substances Data)
- 危险品运输编号
- UN 2811 6.1/PG 3
化学与工业
用途与制造
Uses
Not currently registered with the EPA for pesticide use in the US; [HSDB]
Farming (Pesticides) [Category: Industry]
For Pyridine, 4-nitro-, 1-oxide (USEPA/OPP Pesticide Code: 597300) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
上下游产品信息
上游原料
下游产品
试剂价格
- XW11243301 · 5G
- 4-硝基吡啶-N-氧化物4-nitropyridine-n-oxide;4-nitropyridine-1-oxide — 20元
- B21404 · 100g
- 4-硝基氮氧化吡啶, 97%4-Nitropyridine N-oxide, 97% — 833元
供应商50 家
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