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Substance Name: Acetylenedicarbonitrile
RN: 1071-98-3
InChIKey: ZEHZNAXXOOYTJM-UHFFFAOYSA-N

Molecular Formula

  • C4-N2

Molecular Weight

  • 76.058
 
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Names and Synonyms

Synonyms

  • 4-02-00-02295 (Beilstein Handbook Reference)
  • BRN 1735267
  • Dicyanoacetylene
  • Dicyanoethyne
  • Sous-azote de carbone
  • Sous-azote de carbone [French]

Systematic Names

  • 2-Butynedinitrile (9CI)
  • Acetylenedicarbonitrile

Registry Numbers

CAS Registry Number

  • 1071-98-3

System Generated Number

  • 0001071983

Structure Descriptors

InChI

1S/C4N2/c5-3-1-2-4-6

InChIKey

ZEHZNAXXOOYTJM-UHFFFAOYSA-N

Smiles

C(#CC#N)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 195mg/kg (195mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911.
mouse LD50 oral 526mg/kg (526mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 106, 1999.
rabbit LDLo intravenous 73mg/kg (73mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 152, Pg. 1707, 1911.
rat LC50 inhalation 12mg/m3 (12mg/m3) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 106, 1999.
rat LD50 oral 441mg/kg (441mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
"Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 106, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 20.5 deg C   EXP
Boiling Point 76.5 deg C   EXP
log P (octanol-water) -1.350 (none)   EST
Atmospheric OH Rate Constant 6.91E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.