ChemicalBook CAS DataBase List 86-57-7

86-57-7

Name	1-Nitronaphthalene
CAS	86-57-7
EINECS(EC#)	201-684-5
Molecular Formula	C10H7NO2
MDL Number	MFCD00003913
Molecular Weight	173.17
MOL File	86-57-7.mol

Chemical Properties

Appearance	yellow crystalline solid
Melting point	56 °C
Boiling point	304 °C(lit.)
density	1.223 g/mL at 25 °C(lit.)
refractive index	1.5200 (estimate)
Fp	164 °C
storage temp.	2-8°C
solubility	H2O: insoluble
form	neat
color	Light Yellow To Yellow
Specific Gravity	1.223
Stability:	Stable. Combustible. Incompatible with oxidizing agents, strong reducing agents. Mixtures with sulfuric or nitric acid are dangerous.
Water Solubility	0.022 g/L
Merck	14,6614
BRN	1867714
InChI	1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey	RJKGJBPXVHTNJL-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1cccc2ccccc12
CAS DataBase Reference	86-57-7(CAS DataBase Reference)
IARC	3 (Vol. 46) 1989
NIST Chemistry Reference	Naphthalene, 1-nitro-(86-57-7)
EPA Substance Registry System	86-57-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS07,GHS09
Signal word	Warning
Hazard statements	H228-H302-H411
Precautionary statements	P210-P240-P241-P264-P273-P301+P312
Hazard Codes	F,T,N
Risk Statements	R11:Highly Flammable. R25:Toxic if swallowed. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R40:Limited evidence of a carcinogenic effect. R36/37/38:Irritating to eyes, respiratory system and skin . R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . less more
RIDADR	UN 2538 4.1/PG 3
WGK Germany	2
RTECS	QJ9720000
Hazard Note	Flammable/Toxic
TSCA	TSCA listed
HazardClass	4.1
PackingGroup	III
HS Code	29042000
Storage Class	4.1B - Flammable solid hazardous materials
Hazard Classifications	Acute Tox. 4 Oral Aquatic Chronic 2 Flam. Sol. 2
Safety Profile	Poison by intraperitoneal route. Mutation data reported. A skin, eye, and mucous membrane irritant. Flammable solid and combustible liquid when exposed to heat or flame. To fight fire, use CO2, dry chemical, or water spray. Explosive reaction with nitric acid + sulfuric acid above 60°C. Forms a sensitive explosive mixture with tetranitromethane. When heated to decomposition it emits toxic fumes of NOx. See also 2-NITRONAPHTHALENE and NITRO COMPOUNDS OF AROMATIC HYDROCARBONS. less more
Hazardous Substances Data	86-57-7(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Chemical Properties

yellow crystalline solid

Uses

1-Nitronaphthalene as a nitroaromatic compound is studied for mutagenicity, as nitroaromatics are used in everyday products from polmers, dyes to drugs.

Uses

Usually used to study excited state dynamics of 1-nitropthalene in nonpolar, aprotic and protic solvents.

Definition

ChEBI: A mononitronaphthalene substituted by a nitro group at position 1.

Production Methods

One method to product 1-Nitronaphthalene: Naphthalene is charged to sulfuric acid alternately with mixed acid at 40 – 50 ℃ over 8 h, with the final temperature being 55 ℃. The acid strength used allows the molten product to be separated as an oil and washed. Continuous operation at 50 – 60 ℃ with mixed acid (33/48/19) gives a comparable product. The crude reaction product is obtained in 90 – 95 % yield and is purified by vacuum distillation.

General Description

1-Nitronaphthalene is a mutagenic nitroaromatic compound present in diesel exhaust and it causes acute liver and lung toxicity in rodents. 1-Nitronaphthalene is a cytochrome P450-bioactivated, nonciliated bronchiolar epithelial (Clara) cell cytotoxicant .

Biochem/physiol Actions

1-Nitronaphthalene binds covalently to protein and forms adducts in the rat airway epithelium in vivo.

Purification Methods

Fractionally distil 1-nitronaphthalene under reduced pressure, then crystallise it from EtOH, aqueous EtOH or heptane. Chromatograph it on alumina with *benzene/pet ether as eluent. It sublimes in vacuo. The 1:1 picrate complex has m 72o (from EtOH). [Beilstein 5 H 553, 5 III 1593, 5 IV 1673.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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