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Substance Name: 1,4-Benzenedicarbonyl dichloride
RN: 100-20-9
UNII: G247CO9608
InChIKey: LXEJRKJRKIFVNY-UHFFFAOYSA-N

Note

  • Cross-links albumin.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C8-H4-Cl2-O2

Molecular Weight

  • 203.024
 
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Names and Synonyms

Name of Substance

  • 1,4-Benzenedicarbonyl dichloride
  • Terephthaloyl chloride

Synonyms

  • 1,4-Benzenedicarbonyl chloride
  • 1,4-Benzenedicarbonyl dichloride
  • 4-09-00-03318 (Beilstein Handbook Reference)
  • BRN 0607796
  • CCRIS 8626
  • EC 202-829-5
  • EINECS 202-829-5
  • HSDB 5332
  • NSC 41885
  • p-Phenylenedicarbonyl dichloride
  • p-Phthaloyl chloride
  • p-Phthaloyl dichloride
  • p-Phthalyl dichloride
  • Terephthalic acid chloride
  • Terephthalic acid dichloride
  • Terephthalic dichloride
  • Terephthaloyl chloride
  • Terephthaloyl dichloride
  • Terephthalyl dichloride
  • UNII-G247CO9608

Systematic Names

  • 1,4-Benzenedicarbonyl dichloride
  • Terephthaloyl chloride
  • Terephthaloyl dichloride

Superlist Names

  • 1,4-Benzenedicarbonyl dichloride
  • Terephthaloyl chloride

Registry Numbers

CAS Registry Number

  • 100-20-9

FDA UNII

  • G247CO9608

Other Registry Numbers

  • 106158-15-0
  • 108454-76-8
  • 1640987-72-9
  • 188665-55-6
  • 1927884-58-9

System Generated Number

  • 0000100209

Structure Descriptors

InChI

InChI=1S/C8H4Cl2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h1-4H

InChIKey

LXEJRKJRKIFVNY-UHFFFAOYSA-N

Smiles

ClC(=O)c1ccc(cc1)C(=O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2140mg/kg (2140mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(12), Pg. 35, 1984.
rabbit LD skin > 200mg/kg (200mg/kg)   National Technical Information Service. Vol. OTS0533726,
rabbit LD50 oral 950mg/kg (950mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(12), Pg. 35, 1984.
rat LC50 inhalation 700mg/m3/4H (700mg/m3) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0533726,
rat LD50 oral 2500mg/kg (2500mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 475, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83.5 deg C   EXP
Boiling Point 258 deg C   EXP
log P (octanol-water) 0.880 (none)   EST
Atmospheric OH Rate Constant 7.49E-13 cm3/molecule-sec 25 EST

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