2-Nitrophenylacetonitrile

HCID 11888CAS 610-66-2

기본 정보

표준 SMILES
N#CCc1ccccc1[N+](=O)[O-]
InChIKey
YPRFCQAWSNWRLM-UHFFFAOYSA-N
분자식
C8H6N2O2
평균 분자량
162.15 g/mol
단동위원소 질량
162.04292744

이름 및 식별자

우선 이름
2-Nitrophenylacetonitrile
IUPAC
2-(2-nitrophenyl)acetonitrile
영어명
2-Nitrophenylacetonitrile
분자식
C8H6N2O2
분자량
162.15

이름 및 동의어

2-Nitrophenylacetonitrile610-66-2(2-Nitrophenyl)acetonitrileBenzeneacetonitrile, 2-nitro-2-Nitrobenzeneacetonitrileo-Nitrobenzacetonitrile(o-Nitrophenyl)acetonitrile2-Nitrobenzyl nitrileAcetonitrile, (o-nitrophenyl)-O-NITROPHENYLACETONITRILEo-Nitrophenyl acetonitrileCCRIS 4681
이름 더 보기
2-(2-Nitrophenyl)acetonitrile2-nitrobenzylnitrile2-NITROBENZYL CYANIDEO-NITROBENZYL CYANIDE2-NitrobenzylCyanide>o-Nitro-α-toluic nitrile
DTXSID7025768EINECS 210-231-0NSC 99338BRN 1869400NSC-99338DTXCID9057687859F455K63-09-00-02283 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS
610-66-2
PubChem CID
11888
DTXSID
DTXSID7025768
ChEMBL
CHEMBL1300441
UNII
7859F455K6
EC Number
210-231-0
Nikkaji
J31.170G

물성

구조 계산 물성

XLogP
1.8
극성 표면적
69.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

실험 및 물리화학적 성질

Solubilityless than 0.1 mg/mL at 68 °F (NTP, 1992)
Boiling Point352 °F at 12 mmHg (NTP, 1992)
Melting Point183 °F (NTP, 1992)
Physical DescriptionO-nitrophenylacetonitrile is a light brown solid. (NTP, 1992)

물리화학적 성질

녹는점
82 · 82-85 °C(lit.)
끓는 점
178 °C · 178°C
밀도
1.3264 · 1.3264 (rough estimate)
굴절률
1.577 · 1.5770 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름, 에틸아세테이트에 용해됨

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupNitriles;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1건

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 ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute 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%)

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

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 · 1건

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) · 1건

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)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
AM1248000
ridadr
3439
HS 번호
29269090
risk_code
20/21/22-36/37/38

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneacetonitrile, 2-nitro-: INACTIVE

응용 분야

용도2-Nitrophenylacetonitrile was used in synthesis of 2 or 2,4-substituted α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones. It was used in the synthesis of strychnine.

일반 설명Light brown solid.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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23건

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