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

Classification Codes

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

Molecular Formula

  • C10-H8-N2-O2

Molecular Weight

  • 188.185
 
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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.