2-(4-nitrophenyl)ethanol

CAS number：100-27-6 molecular formula：C8H9NO3

overview

Specs

numbering system

physicochemical properties

Safety information

Production methods and uses

MSDS

overview

compound introduction

物理描述 | 对硝基苯乙基醇呈黄色针状（来自含水甲醇）或橙色固体。(NTP, 1992)

Specs

Chinese alias	-
English alias	2-(4-Nitrophenyl)ethanol; 2-(p-Nitrophenyl)ethanol; p-Nitrophenethyl alcohol
CAS number	100-27-6	molecular formula	C8H9NO3
molecular weight	167.16	Exact mass	-
PSA	66.1	logp	1.1

numbering system

CAS	100-27-6
Wikidata	Q72494303
ChEMBL ID	CHEMBL1485974
NSC Number	NSC Number: NSC55519
PubChem CID	7494
Nikkaji Number	J28.538B
DSSTox Substance ID	DTXSID7025764
European Community (EC) Number	202-835-8
PubChem Reference Collection SID	500743493
MEP ID	_26F0RLM81

physicochemical properties

XLogP3	1.1
Complexity	147
Exact Mass	167.058243149
Solubility	less than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point	351 °F at 16 mmHg (NTP, 1992)
Formal Charge	0
Melting Point	144 to 147 °F (NTP, 1992)
Heavy Atom Count	12
Molecular Weight	167.16
Monoisotopic Mass	167.058243149
Isotope Atom Count	0
Physical Description	P-nitrophenethyl alcohol appears as yellow needles (from aqueous methanol) or orange solid. (NTP, 1992)
Rotatable Bond Count	2
Hydrogen Bond Donor Count	1
Covalently-Bonded Unit Count	1
Hydrogen Bond Acceptor Count	3
Topological Polar Surface Area	66.1 Å²
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

Safety information

First Aid：

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)

Fire Hazards：

Flash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)

Fire Fighting：

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

Health Hazards：

SYMPTOMS: Structurally similar chemicals may cause methemoglobinemia. (NTP, 1992)

Reactive Group：

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

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.

Nonfire Spill Response：

STORAGE PRECAUTIONS: You should store this material under ambient temperatures. (NTP, 1992)

Regulatory Information：

The Australian Inventory of Industrial Chemicals: Chemical: Benzeneethanol, 4-nitro-

Air and Water Reactions：

Insoluble in water.

Other Safety Information：

Chemical Assessment: Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories：

Eye Irrit. 2A (100%)

Personal Protective Equipment (PPE)：

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)