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2-Propyl methylphosphonochloridate

HCID 102124
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1445-76-7
Standard SMILES
CC(C)OP(C)(=O)Cl
InChIKey
RHAHLPAWJVKXAZ-UHFFFAOYSA-N
Molecular formula
C4H10ClO2P
Average molar mass
156.55 g/mol
Monoisotopic mass
156.0106942

Overview

Chlorosarin is a chemical weapon which is related to sarin. Structurally, chlorosarin differs from sarin only in that the fluorine atom in sarin is replaced by a chlorine atom in chlorosarin. This change is only expected to have a small effect on chlorosarin's chemical reactivity as compared to the reactivity of sarin. See the chemical datasheet for sarin for more information.

Names & identifiers

Preferred name
2-Propyl methylphosphonochloridate
IUPAC
2-[chloro(methyl)phosphoryl]oxypropane
English name
2-propyl methylphosphonochloridate
Molecular formula
C4H10ClO2P
Molecular weight
156.55

Names & synonyms

2-Propyl methylphosphonochloridateRefChem:575947Chlorosarin1445-76-70DNX22ZOWKisopropyl methylphosphonochloridatePhosphonochloridic acid, methyl-, 1-methylethyl esterImcl-2-propylUNII-0DNX22ZOWKHSDB 76711-Methylethyl methylphosphonochloridate2-[chloro(methyl)phosphoryl]oxypropane
Show more names
RHAHLPAWJVKXAZ-UHFFFAOYSA-NO-ISOPROPYLMETHYLPHOSPHONOCHLORIDATEPhosphonochloridic acid, P-methyl-, 1-methylethyl ester
SCHEMBL5323453DTXSID40862669Propan-2-yl methylphosphonochloridateIsopropyl methylphosphonochloridoate #ISOPROPYL CHLOROMETHYLPHOSPHINATENS00124968O-Isopropyl methylphosphonochloridate (Chlorosarin)Q2964135

Database identifiers

CAS
1445-76-7
PubChem CID
102124
DTXSID
DTXSID40862669
UNII
0DNX22ZOWK

Properties

Computed structural properties

XLogP
1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
8
Formal charge
0
Complexity
113

Experimental & physicochemical properties

Physical Description · 1 item

Chlorosarin is a chemical weapon which is related to sarin. Structurally, chlorosarin differs from sarin only in that the fluorine atom in sarin is replaced by a chlorine atom in chlorosarin. This change is only expected to have a small effect on chlorosarin's chemical reactivity as compared to the reactivity of sarin. See the chemical datasheet for sarin for more information.

Physicochemical properties

Boiling point
46 °C · 46 °C(Press: 1 Torr)
Density
1.3171 g/cm3 · 1.3171 g/cm3(Temp: 0 °C)
FDA UNII
0 DNX22ZOWK · 0DNX22ZOWK
EPA Substance Registry System
Chlorosarin (1445-76-7)
Hazardous Substances Data
1445 · 1445-76-7(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

Fire HazardsChlorosarin is expected to emit toxic fumes of chlorides if heated to decomposition.
Reactive GroupSulfonates, Phosphonates, and Thiophosphonates, Organic
Special Reports · 1 item

Organization for the Prohibition of Chemical Weapons; Convention on the Prohibition of the Development, Production, Stockpiling and Use of Chemical Weapons and Their Destruction. Available from http://www.opcw.org as of November 12, 2008. The Chemical Weapons Convention (CWC) is an international treaty which bans the development, production, stockpiling, and transfer or use of chemical weapons. The Convention mandates the destruction and prohibition of chemical weapons and related facilities and provides for restrictions on international trade in toxic chemicals and precursors.

Reactivity AlertsWater-Reactive
Air and Water ReactionsThis compound is expected to form corrosive hydrochloric acid on contact with water.
DHS Chemicals of Interest (COI) · 4 items

Chlorosarin

CUM 100g

CUM 100g

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.

Safety & protection

Disposal Methods · 2 items

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Chemistry & industry

Uses & manufacturing

UsesChemical warfare agent precursor
Methods of ManufacturingSynthesis: DIMP, O-O-diisopropyl methylphosphonate
General Manufacturing Information · 1 item

/The Chemical Weapons Convention (CWC) is an international treaty which bans the development, production, stockpiling, and transfer or use of chemical weapons. The Convention mandates the destruction and prohibition of chemical weapons and related facilities and provides for restrictions on international trade in toxic chemicals and precursors./ The Convention's monitoring and verification measures involve submission of declarations regarding ... /Schedule 1, 2, and 3 chemicals/ and inspections by the Organization for the Prohibition of Chemical Weapons of the facilities where these chemicals are produced. ... Schedule 1 lists chemicals considered to pose a high risk to the object and purpose of the Convention by virtue of their high potential for use in activities prohibited by the CWC. These chemicals have little or no use for peaceful purposes in commercial or industrial trade. ... Schedule 1 also lists precursor chemicals that may be used in the final single technological stage of production of any of the toxic chemicals listed in the schedule (2). Chlorosarin is listed in the CWC Annex on Chemicals under Schedule 1 (1).

Related reactions

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Compound notes

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

Principles and methods for destruction of chemical weapons: ... "Destruction of chemical weapons" means a process by which chemicals are converted in an essentially irreversible way to a form unsuitable for production of chemical weapons, and which in an irreversible manner renders munitions and other devices unusable as such. ... Each ... /nation/ shall determine how it shall destroy chemical weapons, except that the following processes may not be used: dumping in any body of water, land burial or open-pit burning. It shall destroy chemical weapons only at specifically designated and appropriately designed and equipped facilities. ... Each ... /nation/ shall ensure that its chemical weapons destruction facilities are constructed and operated in a manner to ensure the destruction of the chemical weapons; and that the destruction process can be verified under the provisions of this Convention.

Protective Action Criteria (PAC) · 3 items

0.00048 [ppm]

0.006 [ppm]

0.022 [ppm]

Other Standards Regulations and Guidelines · 1 item

DOE Protective Action Criteria (PAC): Temporary Emergency Exposure Limits (TEELs) for Chlorosarin: TEEL-0: 0.00015 ppm; PAC-1: 0.0005 ppm; PAC-2: 0.006 ppm; PAC-3: 0.022 ppm (TEEL-0: The threshold concentration below which most people will experience no adverse health effects; PAC-1: The maximum concentration in air below which it is believed nearly all individuals could be exposed for up to one hour without experiencing other than mild transient adverse health effects or perceiving a clearly defined objectionable odor; PAC-2: The maximum concentration in air below which it is believed nearly all individuals could be exposed for up to one hour without experiencing or developing irreversible or other serious health effects or symptoms that could impair their abilities to take protective action; PAC-3: The maximum concentration in air below which it is believed nearly all individuals could be exposed for up to one hour without experiencing or developing life-threatening health effects).

Toxicology

Antidote and Emergency Treatment · 3 items

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Nerve Agents/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Aggressive airway control may be needed. Watch for signs of respiratory insufficiency and assist ventilations it 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 0.9% saline (NS) during transport ... . /Nerve Agents/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag-valve-mask device may be beneficial. Initial ventilation may be difficult. Airway resistance may be high (50 to 70 cm H2O) because of secretions and bronchoconstriction. Frequent suctioning may be necessary. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Administer atropine. Correct hypoxia before administration ... . In severely poisoned patients, administer pralidoxime chloride (2-PAM). ... Treat seizures with adequate atropinization, correction of hypoxia, and diazepam (Valium) or lorazepam as necessary ... . In mass casualty events the use of auto-injector atropine and 2-PAM is advised. These auto-injectors are know as the Mark I ket. An auto-injector diazepam is also available ... . Administer homatropine drops for miosis and eye pain ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Nerve Agents/

Regulatory information

DHS Chemicals of Interest (COI) · 4 items

Chlorosarin

CUM 100g

CUM 100g

Chemical Weapons/Chemical Weapons Precursors chemical material that, if stolen or diverted, can be converted into weapons using simple chemistry, equipment, or techniques.

Safety data

Hazardous Substances Data
1445-76-7(Hazardous Substances Data)