2-니트로페네틸알코올
2-Nitrophenethyl alcohol
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기본 정보
- CAS
15121-84-3- 표준 SMILES
O=[N+]([O-])c1ccccc1CCO- InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N- 분자식
- C8H9NO3
- 평균 분자량
- 167.16 g/mol
- 단동위원소 질량
- 167.05824315
개요
O-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- 2-Nitrophenethyl alcohol
- IUPAC
- 2-(2-nitrophenyl)ethanol
- 현지명
- 2-니트로페네틸알코올
- 영어명
- 2-Nitrophenethyl alcohol
- 분자식
- C8H9NO3
- 분자량
- 167.16
이름 및 동의어
2-(2-Nitrophenyl)ethanol2-Nitrophenethyl alcohol15121-84-3Benzeneethanol, 2-nitro-2-NitrobenzeneethanolO-NITROPHENETHYL ALCOHOL2-(o-Nitrophenyl)ethanol2-(o-Nitrophenyl)ethyl alcoholPhenethyl alcohol, o-nitro-NitrophenylethanolBenzeneethanol, ar-nitro-CCRIS 6078
이름 더 보기
2-니트로페네틸알코올2-NitrophenethyL2-(2-Nitrophenyl)ethan-1-olNcgc00090875-01o-Nitrophenylethanol2-nitro-benzeneethano2-nitrophenethyl alchol2-nitro-2-phenylethanolo-nitro-phenethylalcoho
DTXSID2025763J2TPT86IRJEINECS 239-178-1BRN 2092464AI3-362711-(2-hydroxyethyl)-2-nitrobenzeneEINECS 273-447-4DTXCID905763
데이터베이스 식별자
- CAS
15121-84-3、68966-80-3- PubChem CID
- 27054
- DTXSID
DTXSID2025763- ChEMBL
CHEMBL2137523- UNII
- J2TPT86IRJ
- EC Number
- 239-178-1、273-447-4
- Nikkaji
- J275E
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 66.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 155
실험 및 물리화학적 성질
Density1.19 (NTP, 1992) - Denser than water; will sink
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Flash Pointgreater than 230 °F (NTP, 1992)
Boiling Point513 °F at 760 mmHg (NTP, 1992)
Melting Point36 °F (NTP, 1992)
Vapor Pressure1 mmHg at 81 °F ; 1.5 mmHg at 84 °F; 4.5 mmHg at 124 °F (NTP, 1992)
Physical DescriptionO-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992)
물리화학적 성질
- 녹는점
- 2 °C · 2 °C(lit.)
- 끓는 점
- 267 °C · 267 °C(lit.)
- 밀도
- 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.5637(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile
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.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 및 보호
Fire FightingFires 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.
화학 및 산업
용도 및 제조
General Manufacturing Information
Benzeneethanol, 2-nitro-: INACTIVE
Benzeneethanol, ar-nitro-: INACTIVE
응용 분야
용도2-Nitrophenethyl alcohol was used in the synthesis of indoles.
일반 설명Needles dark brown liquid.
상·하류 제품 정보
상류 원료
하류 제품
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