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2,2-Dinitropropyl acrylate

HCID 28860
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
17977-09-2
Standard SMILES
C=CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-]
InChIKey
BGPPMVLBKMPVQR-UHFFFAOYSA-N
Molecular formula
C6H8N2O6
Average molar mass
204.14 g/mol
Monoisotopic mass
204.03823598

Names & identifiers

Preferred name
2,2-Dinitropropyl acrylate
IUPAC
2,2-dinitropropyl prop-2-enoate
English name
2,2-dinitropropyl acrylate
Molecular formula
C6H8N2O6
Molecular weight
204.14

Names & synonyms

2,2-DINITROPROPYL ACRYLATE2,2-Dinitropropyl 2-propenoateUNII-W5F83UPW7DW5F83UPW7DAcrylic acid, 2,2-dinitropropyl esterHSDB 61122-Propenoic acid, 2,2-dinitropropyl esterEINECS 241-897-0NSC 166462NSC-166462DTXSID10662892,2-DINITROPROPYL 2-PROPENOATE [HSDB]
Show more names
Propenoic acid 2,2-dinitropropyl ester
1-PROPANOL, 2,2-DINITRO-, ACRYLATE (ESTER)RefChem:811112,2Dinitropropyl 2propenoateDTXCID4035708Acrylic acid, 2,2dinitropropyl ester2Propenoic acid, 2,2dinitropropyl esterAcrylic acid, 2,2-dinitropropyl ester (8CI)241-897-0

Database identifiers

CAS
17977-09-2
PubChem CID
28860
DTXSID
DTXSID1066289
UNII
W5F83UPW7D
EC Number
241-897-0
Nikkaji
J260.813H

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
118 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
14
Formal charge
0
Complexity
261

Experimental & physicochemical properties

PolymersPlastics & Rubber -> (Meth)acrylates
Vapor Pressure0.00106 [mmHg]
Other Experimental PropertiesReacts readily with electrophilic, free-radical, and nucleophilic agents /Acrylic acid & esters/

Physicochemical properties

FDA UNII
5 F83UPW7D · W5F83UPW7D
EPA Substance Registry System
2 · 2,2-Dinitropropyl acrylate (17977-09-2)
TSCA
TSCA listed
Hazardous Substances Data
17977 · 17977-09-2(Hazardous Substances Data)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Hazards SummarySee ACRYLIC RESINS (MONOMERS).
Skin, Eye, and Respiratory IrritationsTHE LOWER-MOL-WT ESTERS OF ACRYLIC ACIDS ARE IRRITANTS TO SKIN, EYES & MUCOUS MEMBRANES. /ACRYLIC ACID ESTERS/

Safety & protection

Storage Conditions · 1 item

The effectiveness of phenolic inhibitors is dependent on the presence of oxygen and the monomers must be stored under air rather than an inert atmosphere. Temp must be kept low to minimize formation of peroxides and other products. ... The acrylic esters may be stored in mild or stainless steel, or aluminum. /Acrylic acid & derivatives/

Disposal Methods · 1 item

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.

Preventive Measures · 3 items

Awareness of the dangers and of good engineering design are essential to safety. Employees should be instructed about the necessity of cleansing the skin if it is contaminated by materials which are irritants or skin-absorbed. With careful design, however, and complete enclosure of those processes where toxic chemicals or intermediates occur, dangerous exposures can be avoided. /Acrylic acid & derivatives/

SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used as a monomer (e.g., for polymers used in rocket propellants); [HSDB]

Plastic Composites Manufacturing [Category: Industry]

MONOMER, EG, FOR POLYMERS USED IN ROCKET PROPELLANTS

U.S. Imports(1983) 1.36X10+9 g /Acrylates & Acrylic Acid/
Methods of Manufacturing · 2 items

The acrylates can be prepared by a number of procedures. These incl dehydration of corresponding hydroxyalkanoic acid, saponification of alkene nitrile, catalytic hydration of acetylene & carbon monoxide, or the reaction of acetone with hydrocyanic acid. /Acrylates/

In ... propylene oxidation process acrolein is first formed by the catalytic oxidation of propylene vapor at high temp in the presence of steam. The acrolein is then oxidized to acrylic acid. ... The acrylic acid is esterified with alcohol to the ... acrylic ester in a separate process. /Acrylic ester monomers/

Formulations/Preparations... Hydroquinone or monomethyl ether hydroquinone /is/ added to acrylic monomers to stabilize them ... . /Acrylic ester monomers/
General Manufacturing Information2-Propenoic acid, 2,2-dinitropropyl ester: INACTIVE

Suppliers1 total

DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Personal Protective Equipment (PPE) · 2 items

SUITABLE PROTECTIVE CLOTHING & SELF-CONTAINED RESP PROTECTIVE APPARATUS SHOULD BE AVAILABLE FOR USE OF THOSE WHO MAY HAVE TO RESCUE PERSONS OVERCOME BY FUMES. /ACRYLIC ACID & DERIVATIVES/

Protection required for safe handling of acrylic acid and esters commonly includes use of impervious gloves, shoe soles, and clothing; splash-proof goggles ... . /Acrylic acid & derivatives/

Toxicology

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Human Toxicity Excerpts · 1 item

THE ACUTE TOXICITY OF THE ACRYLATES DECREASES WITH INCREASING MOLECULAR WEIGHT. ... HUMAN SIGNS & SYMPTOMS FOLLOWING INGESTION OF ACRYLIC MONOMERS INCL COLLAPSE, SEVERE RESPIRATORY DIFFICULTIES, & CNS STIMULATION. ACUTE INHALATION OF HIGHER CONCN MAY CAUSE MARKED IRRITATION, SALIVATION, CONJUNCTIVAL IRRITATION, & PRONOUNCED PULMONARY IRRITATION OR EDEMA. PROLONGED SKIN OR EYE CONTACT MAY RESULT IN SEVERE TISSUE DAMAGE. THE PATHOLOGY FROM SINGLE EXPOSURE IS NONSPECIFIC, CONTRARY TO REPEATED EXPOSURE EFFECTS, WHICH INCL PULMONARY CONGESTION OR HEMORRHAGE & CLOUDY SWELLING OF LIVER & KIDNEY. /ACRYLATES/

Non-Human Toxicity ExcerptsContact sensitivity was produced in guinea pigs with mono-, di-, and tri- acrylate compounds. /Mono-, di-, and tri- acrylate compounds/
Antidote and Emergency Treatment · 2 items

Basic treatment: Establish a patent airway. Suction if necessary. Encourage patient to take deep breaths. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . /Irritating materials/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation at the first sign of upper airway obstruction may be necessary. Positive-pressure ventilation techniques with a bag-valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with D5W TKO /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Irritating materials/

Safety data

tsca
TSCA listed
Hazardous Substances Data
17977-09-2(Hazardous Substances Data)