2-니트로페네틸알코올

2-Nitrophenethyl alcohol

HCID 27054CAS 15121-84-3

기본 정보

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 물성

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

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)

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

화학적 성질

brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 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.

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 · 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.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed 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.

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
SG8601000
독성
mic-sat 3333 mLg/plate EMMUEG 19(Suppl 21),2,1992
HS 번호
29062990
hazard_code
Xi

화학 및 산업

용도 및 제조

General Manufacturing Information · 2건

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.

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]

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33건

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