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Nitrocyclohexane

Nitrocyclohexane structure

Nitrocyclohexane 

structure

Description

Colorless to dark yellow liquid Nitrocyclohexane is a highly flammable, colorless liquid.ChEBI: A C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group.Colorless liquid.


Nitrocyclohexane is a colorless liquid. (EPA, 1998)


Nitrocyclohexane is a colorless liquid. (EPA, 1998)|Nitrocyclohexane is a C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group. It is a carbocyclic compound and a nitrohydrocarbon.

Nitrocyclohexane Basic Attributes

129.16

129.16

214-354-0

LL1X024M73

66277

3382|2810

DTXSID6061529

29049090

Characteristics

45.8

1.86

Nitrocyclohexane is a colorless liquid. (EPA, 1998)

1.0610 g/cm3 @ Temp: 20 °C

-34 °C

205.5 °C @ Press: 768 Torr

166 °F

n 20/D 1.462(lit.)

Sol in alcohol, ligroin

768 mm Hg ( 205 °C)

4.46 (vs air)

Cyclohexane/water partition coefficient -0.10 (log)

No rapid reaction with air. No rapid reaction with water.

Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Strong Oxidizing Agent

Nitroalkanes, such as NITROCYCLOHEXANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.

Safety Information

III

6.1(b)

UN 3382 6.1/PG 1

3

23/24/25-36/37/38

26-36/37/39-45

GV6600000

T

P261-P280-P301 + P310-P305 + P351 + P338-P311

H301-H311-H315-H319-H331-H335

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

USEPA; Chemical Profile: Nitrocyclohexane (1985). Chemical safety information sheet on nitrocyclohexane.|Loefroth G et al; Prog Clin Biol Res 209B: 149-55 (1986). Structure-activity relationship of nitroalkane-induced mutagenicity in the Ames Salmonella assay.

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways. (ERG, 2016)|Flammable - 2nd degree, Reactive - 2nd degree

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

(Non-Specific -- Poisonous Liquid, n.o.s.) Move container from fire area if you can do it without risk. Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Wear positive pressure breathing apparatus and special protective clothing. (Non-Specific -- Poisonous Liquid, n.o.s.) Small fires: dry chemical, carbon dioxide, water spray, or foam. Large fires: water spray, fog, or foam. (EPA, 1998)

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: See ERG Table 1 - Initial Isolation and Protective Action Distances on the UN/NA 3382 datasheet. FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

(Non-Specific -- Poisonous Liquid, n.o.s.) Do not touch spilled material; stop leak if you can do so without risk. Use water spray to reduce vapors. Absorb small spills with sand or other noncombustible absorbent materials. Large spills: dike far ahead of spill for later disposal. (EPA, 1998)

For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)

Drug Information

Excerpt from ERG Guide 151 [Substances - Toxic (Non-combustible)]: Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. (ERG, 2016)

Note: No information on specific clinical effects of exposure was available. Signs and Symptoms of Nitrocyclohexane Exposure: Signs and symptoms of acute exposure to nitrocyclohexane may include headache, dizziness, weakness, and nausea. May cause irritation of the eyes, skin, and respiratory tract. Esophageal or gastrointestinal tract irritation or burns may also be noted. Emergency Life-Support Procedures: Acute exposure to nitrocyclohexane may require decontamination and life support for the victims. Emergency personnel should wear protective clothing appropriate to the type and degree of contamination. Air-purifying or supplied-air respiratory equipment should also be worn, as necessary. Rescue vehicles should carry supplies such as plastic sheeting and disposable plastic bags to assist in preventing spread of contamination. Inhalation Exposure: 1. Move victims to fresh air. Emergency personnel should avoid self-exposure to nitrocyclohexane. 2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support. 3. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures. 4. Transport to a health care facility. Dermal/Eye Exposure: 1. Remove victims from exposure. Emergency personnel should avoid self-exposure to nitrocyclohexane. 2. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support. 3. Remove contaminated clothing as soon as possible. 4. If eye exposure has occurred, eyes must be flushed with lukewarm water for at least 15 minutes. 5. Wash exposed skin areas thoroughly with soap and water. 6. Obtain authorization and/or further instructions from the local hospital for performance of other invasive procedures. 7. Transport to a health care facility. Ingestion Exposure: 1. Evaluate vital signs including pulse and respiratory rate, and note any trauma. If no pulse is detected, provide CPR. If not breathing, provide artificial respiration. If breathing is labored, administer 100% humidified oxygen or other respiratory support. 2. Obtain authorization and/or further instructions from the local hospital for administration of an antidote or performance of other invasive procedures. 3. DO NOT induce vomiting. 4. Activated charcoal may be administered if victims are conscious and alert. Use 15 to 30 g (1/2 to 1 oz) for children, 50 to 100 g (1-3/4 to 3-1/2 oz) for adults, with 125 to 250 mL (1/2 to 1 cup) of water. 5. Promote excretion by administering a saline cathartic or sorbitol to conscious and alert victims. Children require 15 to 30 g (1/2 to 1 oz) of cathartic; 50 to 100 g (1-3/4 to 3-1/2 oz) is recommended for adults. 6. Transport to a health care facility. (EPA, 1998)

Nitrocyclohexane Use and Manufacturing

Cyclohexane, nitro-: ACTIVE

Simple and sensitive colorimetric procedures for the measurement of several nitroalkanes /including nitrocyclohexane/ were developed. The methods are based on the oxidative denitrification of nitroalkanes by nitroalkane oxidase and the spectrophotometric determination of one of the reaction products: nitrite, carbonyl compounds and hydrogen peroxide. A linear relationship was established between the absorbance of the colored products and the amount of nitroalkanes (0.01-0.1 umol).

Fire Hazards -> Flammable - 2nd degree, Reactive - 2nd degree

Computed Properties

Molecular Weight:129.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Exact Mass:129.078978594
Monoisotopic Mass:129.078978594
Topological Polar Surface Area:45.8
Heavy Atom Count:9
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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