1-Hydroxycyclohexanecarbonitrile
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1-Hydroxycyclohexanecarbonitrile
structure -
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CAS No:
931-97-5
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Formula:
C7H11NO
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Chemical Name:
1-Hydroxycyclohexanecarbonitrile
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Synonyms:
Cyclohexanecarbonitrile,1-hydroxy-;1-Hydroxycyclohexanecarbonitrile;1-Cyano-1-hydroxycyclohexane;Cyclohexanone,cyanohydrin;NSC 14493;NSC 52190;1-Hydroxycyclohexane-1-carbonitrile
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CAS No:
Description
PHYSICAL DESCRIPTION: Brown solid. (NTP, 1992)
Cyclohexanone cyanohydrin is a brown solid. (NTP, 1992)
Cyclohexanone cyanohydrin is a brown solid. (NTP, 1992)
1-Hydroxycyclohexanecarbonitrile Basic Attributes
125.168
125.17
213-246-0
ON43942N5P
52190|14493
2811
DTXSID2024878
Characteristics
44.02000
0.29
Cyclohexanone cyanohydrin is a brown solid. (NTP, 1992)
1.01723 g/cm3 @ Temp: 30 °C
35 °C
119.5 °C
112.1±22.6 °C
1.489
10 to 50 mg/mL at 74.3° F (NTP, 1992)
Water soluble. Reacts slowly with water (NTP, 1992).
Alcohols and Polyols
CYCLOHEXANONE CYANOHYDRIN is an a-hydroxonitrile. Incompatible with acids; mixing nitriles with strong oxidizing acids can lead to violent reactions. Incompatible with oxidizing agents such as peroxides and epoxides. Mixing with bases can produce poisonous and flammable hydrogen cyanide. May be hydrolyzed exothermically in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). May react vigorously with reducing agents.
Safety Information
II
6.1
UN 2811 6.1/PG 2
3
R29
S45
GU7710000
T+: Very toxic;
P264-P301 + P310
H300
Flash point data regarding this compound are not available, however, it is probably combustible. (NTP, 1992)
|Danger|H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]|P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P302+P352, P304+P340, P305+P351+P338, P310, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 98 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Fires involving this compound can be controlled using dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (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: Increase, in the downwind direction, as necessary, the isolation distance shown above. 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)
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong 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. STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it at refrigerated temperatures. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
Drug Information
Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. 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)
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. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: 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. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. 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)
Computed Properties
Molecular Weight:125.17
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:125.084063974
Monoisotopic Mass:125.084063974
Topological Polar Surface Area:44
Heavy Atom Count:9
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Hydroxycyclohexanecarbonitrile
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