ChemIDplus A TOXNET DATABASE

Substance Name: VX
RN: 50782-69-9
InChIKey: JJIUCEJQJXNMHV-UHFFFAOYSA-N

Note

  • Irreversible phosphorylating inhibitor.

Molecular Formula

  • C11-H26-N-O2-P-S

Molecular Weight

  • 267.371
 

Classification Codes

Classification Codes

  • Chemical warfare agents
  • Cholinergic Agents
  • Cholinesterase inhibitors
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
  • Human Data
  • Neurotransmitter Agents
  • Noxae
  • Poisons
  • Reproductive Effect

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 100 lb

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • VX

Name of Substance

  • Phosphonothioic acid, methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
  • VX

Synonyms

  • (+-)-S-(2-(Bis(1-methylethyl)amino)ethyl) O-ethyl methylphosphonothioate
  • BRN 1949015
  • CCRIS 3351
  • EA 1701
  • Ethyl S-2-diisopropylaminoethyl methylphosphonothiolate
  • Ethyl S-dimethylaminoethyl methylphosphonothiolate
  • Ethyl-S-diisopropylaminoethyl methylthiophosphonate
  • HSDB 6459
  • Methylphosphonothioic acid S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
  • Methylphosphonothioic acid S-(2-(bis(methylethyl)amino)ethyl) O-ethyl ester
  • Methylphosphonothioic acid, S-(2-diisopropylamino)ethyl O-ethyl ester
  • Nerve agent
  • O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate
  • O-Ethyl S-(2-diisopropylaminoethyl)methylphosphonothioate
  • O-Ethyl-S-2-diisopropylaminoethylester kyseliny methylthiofosfonove
  • O-Ethyl-S-2-diisopropylaminoethylester kyseliny methylthiofosfonove [Czech]
  • S-(2-Diisopropylaminoethyl) O-ethyl methyl phosphonothiolate
  • Tx 60
  • UNII-9A4381183B
  • VX
  • VX (van)

Systematic Names

  • Methylphosphonothioic acid S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
  • Phosphonothioic acid, methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
  • Phosphonothioic acid, methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester, (+-)-
  • Phosphonothioic acid, methyl-, S-(2-(diisopropylamino)ethyl) O-ethyl ester
  • Phosphonothioic acid, P-methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester
  • S-(2-Diisopropylaminoethyl)-O-ethyl methylphosphonothiolate

Superlist Name

  • Phosphonothioic acid, methyl-, S-(2-(bis(1-methylethyl)amino)ethyl) O-ethyl ester

Registry Numbers

CAS Registry Number

  • 50782-69-9

Other Registry Numbers

  • 51848-47-6
  • 53800-40-1
  • 65143-05-7
  • 70938-84-0

System Generated Number

  • 0050782699

Structure Descriptors

InChI

1S/C11H26NO2PS/c1-7-14-15(6,13)16-9-8-12(10(2)3)11(4)5/h10-11H,7-9H2,1-6H3

InChIKey

JJIUCEJQJXNMHV-UHFFFAOYSA-N

Smiles

N(CCS[P@@](OCC)(C)=O)(C(C)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 5ug/kg (.005mg/kg)   Neurotoxicology. Vol. 7, Pg. 225, 1986.
Link to PubMed
chicken LD50 intramuscular 30ug/kg (.03mg/kg)   Journal of Toxicology and Environmental Health. Vol. 23, Pg. 103, 1988.
Link to PubMed
guinea pig LD50 subcutaneous 8400ng/kg (.0084mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE WEAKNESS
Toxicology and Applied Pharmacology. Vol. 40, Pg. 109, 1977.
Link to PubMed
human LDLo skin 86ug/kg (.086mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION

GASTROINTESTINAL: OTHER CHANGES
World Health Organization, Technical Report Series. Vol. -, Pg. 24, 1970.
human TDLo intramuscular 3200ng/kg (.0032mg/kg) BEHAVIORAL: SLEEP

GASTROINTESTINAL: NAUSEA OR VOMITING

SENSE ORGANS AND SPECIAL SENSES: VISUAL FIELD CHANGES: EYE
"Possible Long-Term Health Effects of Short-Term Exposure to Chemical Agents," National Research Council, 3 vols., Washington, DC, National Academy Press, 1982-85Vol. 1, Pg. E1, 1982.
human TDLo subcutaneous 30ug/kg (.03mg/kg) BEHAVIORAL: HEADACHE

GASTROINTESTINAL: NAUSEA OR VOMITING
"Possible Long-Term Health Effects of Short-Term Exposure to Chemical Agents," National Research Council, 3 vols., Washington, DC, National Academy Press, 1982-85Vol. 1, Pg. E1, 1982.
man TDLo intravenous 225ng/kg (.000225mg/kg) BEHAVIORAL: HEADACHE

BLOOD: OTHER CHANGES
Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 439, 2000.
man TDLo intravenous 1500ng/kg (.0015mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Toxicology and Applied Pharmacology. Vol. 27, Pg. 241, 1974.
Link to PubMed
man TDLo oral 4ug/kg (.004mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

GASTROINTESTINAL: NAUSEA OR VOMITING
Toxicology and Applied Pharmacology. Vol. 27, Pg. 241, 1974.
Link to PubMed
monkey LD50 intravenous 6ug/kg (.006mg/kg)   Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 439, 2000.
mouse LD50 intraperitoneal 50ug/kg (.05mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: BRONCHIOLAR CONSTRICTION

GASTROINTESTINAL: OTHER CHANGES
World Health Organization, Technical Report Series. Vol. -, Pg. 39, 1970.
mouse LD50 subcutaneous 22ug/kg (.022mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 30, Pg. 151, 1980.
rabbit LD50 intraperitoneal 66ug/kg (.066mg/kg)   Archives Belges de Medecine Sociale, Hygiene, Medecine du Trevail et Medecine Legale. Vol. (Suppl), Pg. 226, 1984.
rabbit LD50 skin 250ug/kg (.25mg/kg)   National Technical Information Service. Vol. AD839-329,
rabbit LD50 subcutaneous 14ug/kg (.014mg/kg)   Archives Belges de Medecine Sociale, Hygiene, Medecine du Trevail et Medecine Legale. Vol. (Suppl), Pg. 226, 1984.
rat LD50 intraperitoneal 37ug/kg (.037mg/kg)   Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 439, 2000.
rat LD50 intravenous 7ug/kg (.007mg/kg)   Journal of Toxicology and Environmental Health, Part A. Vol. 59, Pg. 439, 2000.
rat LD50 subcutaneous 12ug/kg (.012mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 262, Pg. 231, 1983.
Link to PubMed

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.90E+01 deg C   EXP
Boiling Point 300 deg C   EXP
pKa Dissociation Constant 9.12 (none) 25 EXP
log P (octanol-water) 2.09 (none)   EXP
Water Solubility 3.00E+04 mg/L 25 EXP
Vapor Pressure 7.00E-04 mm Hg 25 EXP
Henry's Law Constant 8.20E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.49E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.