2-Nitrophenethyl alcohol

HCID 27054
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Basic information

CAS
15121-84-3
Standard SMILES
O=[N+]([O-])c1ccccc1CCO
InChIKey
SLRIOXRBAPBGEI-UHFFFAOYSA-N
Molecular formula
C8H9NO3
Average molar mass
167.16 g/mol
Monoisotopic mass
167.05824315

Overview

O-nitrophenethyl alcohol appears as needles dark brown liquid. (NTP, 1992)

Names & identifiers

Preferred name
2-Nitrophenethyl alcohol
IUPAC
2-(2-nitrophenyl)ethanol
English name
2-Nitrophenethyl alcohol
Molecular formula
C8H9NO3
Molecular weight
167.16

Names & synonyms

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
Show more names
2-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

Database identifiers

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

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Experimental & physicochemical properties

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)

Physicochemical properties

Melting point
2 °C · 2 °C(lit.)
Boiling point
267 °C · 267 °C(lit.)
Density
1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.5637(lit.)
Flash point
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1 item

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%)

Safety & protection

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

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 · 1 item

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) · 1 item

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)

Safety data

wgk
3
tsca
TSCA listed
rtecs
SG8601000
hs_code
29062990
Toxicity
mic-sat 3333 mLg/plate EMMUEG 19(Suppl 21),2,1992
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing Information · 2 items

Benzeneethanol, 2-nitro-: INACTIVE

Benzeneethanol, ar-nitro-: INACTIVE

Applications

Uses2-Nitrophenethyl alcohol was used in the synthesis of indoles.

General DescriptionNeedles dark brown liquid.

Upstream & downstream products

Suppliers87 total

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]

Related reactions

33 records
New reaction record

Compound notes

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