结构:N#CCc1ccccc1[N+](=O)[O-]
HCID11888

2-Nitrophenylacetonitrile

2-(2-nitrophenyl)acetonitrile

C8H6N2O2162.15 g/molCAS 610-66-2

IDENTITY

结构与身份

标准 SMILES
N#CCc1ccccc1[N+](=O)[O-]
InChIKey
YPRFCQAWSNWRLM-UHFFFAOYSA-N
分子式
C8H6N2O2
平均分子量
162.15 g/mol
单同位素质量
162.04292744

COMPUTED

结构计算性质

已同步
XLogP
1.8
极性表面积
69.6 Ų
氢键供体
0
氢键受体
3
可旋转键
1
重原子
12
形式电荷
0
复杂度
213

PROPERTIES

实验与物化性质

来源:PubChem
Solubility

less than 0.1 mg/mL at 68 °F (NTP, 1992)

Boiling Point

352 °F at 12 mmHg (NTP, 1992)

Melting Point

183 °F (NTP, 1992)

Physical Description

O-nitrophenylacetonitrile is a light brown solid. (NTP, 1992)

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (88.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (88.9%): 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 45 reports by companies from 5 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.

HAZARDS

危害信息

来源:PubChem
Fire Hazards

Flash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Reactive Group

Nitriles;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Reactivity Profile

Nitriles, such as O-NITROPHENYLACETONITRILE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.

Air and Water Reactions

Insoluble in water.

Hazard Classes and Categories

Acute Tox. 4 (97.8%);Acute Tox. 4 (88.9%);Skin Irrit. 2 (91.1%);Eye Irrit. 2 (91.1%);Acute Tox. 4 (97.8%);STOT SE 3 (88.9%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Fires involving this material can 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing 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)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Benzeneacetonitrile, 2-nitro-: INACTIVE

ALIASES

名称与别名

61
2-Nitrophenylacetonitrile610-66-2(2-Nitrophenyl)acetonitrileBenzeneacetonitrile, 2-nitro-2-Nitrobenzeneacetonitrileo-Nitrobenzacetonitrile(o-Nitrophenyl)acetonitrile2-Nitrobenzyl nitrileAcetonitrile, (o-nitrophenyl)-O-NITROPHENYLACETONITRILEo-Nitrophenyl acetonitrileCCRIS 4681DTXSID7025768EINECS 210-231-0NSC 99338BRN 1869400NSC-99338DTXCID9057687859F455K63-09-00-02283 (Beilstein Handbook Reference)

REACTIONS

参与反应

23
HRID171297

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 171297 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID696434

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 696434 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID697450

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 697450 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID1237017

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为生成物
HRID 1237017 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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