| Identification | More | [Name]
1-Nitronaphthalene | [CAS]
86-57-7 | [Synonyms]
1-NITRONAPHTHALENE
ALPHA-NITRONAPHTHALENE
1-Nitronaftalen
1-nitro-naphthalen
I-P#itronaphthalin
Naphthalene,1-nitro-
naphthalene,alpha-nitro
NCI-C01956
Nitrol (pesticide)
nitrol(pesticide)
1-nitronaphthalene (alpha)
1-Nitronaphthalene (purity)
1-Nitronphthalene
α-Nitronaphthalene
a-nitronaphthalene
1-nitronaphthalene (alpha-nitronaphthalene)
35796, 1-Nitronaphthalene (purity)
1-Nitronaphthalene,99%
1-Nitronaphthalin | [EINECS(EC#)]
201-684-5 | [Molecular Formula]
C10H7NO2 | [MDL Number]
MFCD00003913 | [Molecular Weight]
173.17 | [MOL File]
86-57-7.mol |
| Chemical Properties | Back Directory | [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 | Back Directory | [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 . | [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 . | [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. | [Hazardous Substances Data]
86-57-7(Hazardous Substances Data) |
| Hazard Information | Back Directory | [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.] |
|
| Company Name: |
Merck Millipore
|
| Tel: |
1-400-889-1988 400-889-1988 |
| Website: |
http://www.merckmillipore.com |
|