4-Nitrophenethyl alcohol

HCID 7494CAS 100-27-6

기본 정보

표준 SMILES
O=[N+]([O-])c1ccc(CCO)cc1
InChIKey
IKMXRUOZUUKSON-UHFFFAOYSA-N
분자식
C8H9NO3
평균 분자량
167.16 g/mol
단동위원소 질량
167.05824315

이름 및 식별자

우선 이름
4-Nitrophenethyl alcohol
IUPAC
2-(4-nitrophenyl)ethanol
영어명
4-Nitrobenzeneethanol
분자식
C8H9NO3
분자량
167.16

이름 및 동의어

4-Nitrophenethyl alcohol100-27-62-(4-Nitrophenyl)ethanolBenzeneethanol, 4-nitro-P-NITROPHENETHYL ALCOHOLCCRIS 6079DTXSID7025764EINECS 202-835-8NSC 55519BRN 1866148AI3-36320DTXCID305764
이름 더 보기
AKOS 90322AURORA KA-7063p-Nitrophenylethanol4-nitrobenzeneethanol4-nitro-benzeneethano4-NITRO PHENYL ETHANOL4-NITROBENETHYL ALCOHOL
4-06-00-03083 (Beilstein Handbook Reference)RefChem:1000754-NITROPHENETHANOLP-NITROPHENYLETHYL ALCOHOL1-(2-HYDROXYETHYL)-4-NITROBENZENE202-835-8IKMXRUOZUUKSON-UHFFFAOYSA-NInChI=1/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H

데이터베이스 식별자

CAS
100-27-6
PubChem CID
7494
DTXSID
DTXSID7025764
ChEMBL
CHEMBL1485974
EC Number
202-835-8
Nikkaji
J28.538B

물성

구조 계산 물성

XLogP
1.1
극성 표면적
66.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point351 °F at 16 mmHg (NTP, 1992)
Melting Point144 to 147 °F (NTP, 1992)
Physical DescriptionP-nitrophenethyl alcohol appears as yellow needles (from aqueous methanol) or orange solid. (NTP, 1992)

물리화학적 성질

녹는점
59 · 59-62 °C(lit.)
끓는 점
177 °C16 · 177 °C16 mm Hg(lit.)
밀도
1.2917 · 1.2917 (rough estimate)
굴절률
1.557 · 1.5570 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
에 용해됨클로로포름, 메탄올 (약간 용해됨)

화학적 성질

yellow to orange crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 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

Regulatory InformationChemical: Benzeneethanol, 4-nitro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Structurally similar chemicals may cause methemoglobinemia. (NTP, 1992)
Reactive GroupAlcohols and Polyols;Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1건

A nitrated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

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 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% 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 60-70% 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 under ambient temperatures. (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)

규제 정보

Regulatory InformationChemical: Benzeneethanol, 4-nitro-

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SG8602000
HS 번호
29062990
risk_code
22-36-40-36/37/38
hazard_code
Xi,Xn

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzeneethanol, 4-nitro-: INACTIVE
응용 분야 · 2건

용도4-Nitro-benzeneethanol is a useful synthetic intermediate. It can be used to synthesize N-phenylethylindole carboxamides as SAR study of allosteric modulators of CB1 receptor. It can also be used to prepare 2-aza-2''-deoxyinosine-containing oligodeoxyribonucleotide duplexes.

일반 설명Yellow needles (from aqueous methanol) or orange solid.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]

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43건

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