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Substance Name: Bromothalonil
RN: 35691-65-7
UNII: YX089CPS05
InChIKey: DHVLDKHFGIVEIP-UHFFFAOYSA-N

Note

  • Biocide used in glue implicated in contact dermatitis; euxyl K 400 is a 2-phenoxyethanol mixture.

Molecular Formula

  • C6-H6-Br2-N2

Molecular Weight

  • 265.9354
 

Classification Codes

  • Pharmaceutic Aids
  • Preservatives, Pharmaceutical
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Names and Synonyms

Results Name

  • Bromothalonil

Name of Substance

  • 1,2-Dibromo-2,4-dicyanobutane
  • 2-Bromo-2-(bromomethyl) glutaronitrile
  • 2-Bromo-2-(bromomethyl) pentanedinitrile
  • Glutaronitrile, 2-bromo-2-(bromomethyl)-
  • Methyldibromo glutaronitrile
  • Pentanedinitrile, 2-bromo-2-(bromomethyl)-

Synonyms

  • 1,2-Dibromo-2,4-dicyanobutane
  • 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile
  • 2-Bromo-2-(bromomethyl)glutaronitrile
  • BBMG
  • Bromothalonil
  • Caswell No. 114G
  • CCRIS 9475
  • EINECS 252-681-0
  • EPA Pesticide Chemical Code 111001
  • HSDB 7313
  • MDBGN
  • Metacide 38
  • Methyldibromoglutaronitrile
  • Pentanedinitrile, 2-bromo-2-(bromomethyl)-
  • Tektamer
  • Tektamer 38
  • Tektamer 38AD
  • Tuopai DM 01
  • UNII-YX089CPS05

Systematic Names

  • 2-Bromo-2-(bromomethyl)pentanedinitrile
  • Glutaronitrile, 2-bromo-2-(bromomethyl)-
  • Pentanedinitrile, 2-bromo-2-(bromomethyl)-

Superlist Names

  • 1-Bromo-1-(bromomethyl)-1,3-propanedicarbonitrile
  • 2-Bromo-2-(bromomethyl)pentanedinitrile

Registry Numbers

CAS Registry Number

  • 35691-65-7

FDA UNII

  • YX089CPS05

System Generated Number

  • 0035691657

Structure Descriptors

InChI

1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2

InChIKey

DHVLDKHFGIVEIP-UHFFFAOYSA-N

Smiles

C(CCC#N)(C#N)(CBr)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Journal of the American College of Toxicology. Vol. 15, Pg. 140, 1996.
rat LC50 inhalation > 13gm/m3/4H (13000mg/m3)   Journal of the American College of Toxicology. Vol. 15, Pg. 140, 1996.
rat LD50 oral 515mg/kg (515mg/kg)   Journal of the American College of Toxicology. Vol. 15, Pg. 140, 1996.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52 deg C   EXP
log P (octanol-water) 1.630 (none)   EST
Atmospheric OH Rate Constant 5.92E-13 cm3/molecule-sec 25 EST

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