Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1,3-Bis(isocyanatomethyl)benzene
RN: 3634-83-1
UNII: D85XJ1813J
InChIKey: RTTZISZSHSCFRH-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C10-H8-N2-O2

Molecular Weight

  • 188.185
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1,3-Bis(isocyanatomethyl)benzene

Synonyms

  • 1,3-Bis(isocyanatomethyl)benzene
  • 1,3-Bis-(isokyanatomethyl)benzen
  • 1,3-Bis-(isokyanatomethyl)benzen [Czech]
  • 4-13-00-00293 (Beilstein Handbook Reference)
  • BRN 0781825
  • EC 222-852-4
  • EINECS 222-852-4
  • m-Phenylenedimethylene isocyanate
  • M-Xdi
  • m-Xylene diisocyanate
  • m-Xylidene diisocyanate
  • m-Xylylendiisokyanat
  • m-Xylylendiisokyanat [Czech]
  • m-Xylylene diisocyanate
  • Takenate
  • Takenate 500
  • UNII-D85XJ1813J

Systematic Names

  • 1,3-Bis(isocyanatomethyl)benzene
  • Benzene, 1,3-bis(isocyanatomethyl)-
  • Isocyanic acid, m-phenylenedimethylene ester

Registry Numbers

CAS Registry Number

  • 3634-83-1

FDA UNII

  • D85XJ1813J

Other Registry Numbers

  • 125671-35-4
  • 53208-23-4

System Generated Number

  • 0003634831

Structure Descriptors

InChI

1S/C10H8N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4H,5-6H2

InChIKey

RTTZISZSHSCFRH-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)CN=C=O)CN=C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 840mg/kg (840mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 39, Pg. 202, 1980.
rat LD50 oral 5350mg/kg (5350mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 933, 1986.