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Substance Name: 1,3-Benzenedicarbonyl chloride
RN: 99-63-8
UNII: 6A3LDJ6CL3
InChIKey: FDQSRULYDNDXQB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C8-H4-Cl2-O2

Molecular Weight

  • 203.024
 
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Names and Synonyms

Name of Substance

  • 1,3-Benzenedicarbonyl chloride
  • Isophthaloyl dichloride

Synonyms

  • 1,3-Benzenedicarbonyl chloride
  • 1,3-Benzenedicarbonyl dichloride
  • 1,3-Benzenedicarboxylic acid, dichloride
  • 4-09-00-03295 (Beilstein Handbook Reference)
  • BRN 0638342
  • Dichlorid kyseliny isoftalove
  • Dichlorid kyseliny isoftalove [Czech]
  • EC 202-774-7
  • EINECS 202-774-7
  • HSDB 5326
  • Isophthalic acid chloride
  • Isophthalic acid dichloride
  • Isophthalic chloride
  • Isophthaloyl chloride
  • Isophthaloyl dichloride
  • Isophthalyl chloride
  • Isophthalyl dichloride
  • Isothaloyl chloride
  • m-Benzenedicarbonyl chloride
  • m-Phthalic dichloride
  • m-Phthaloyl chloride
  • m-Phthalyl dichloride
  • meta-Phthalyl dichloride
  • NSC 41884
  • UNII-6A3LDJ6CL3

Systematic Names

  • 1,3-Benzenedicarbonyl dichloride
  • Isophthaloyl chloride
  • Isophthaloyl dichloride

Superlist Name

  • Isophthaloyl chloride

Registry Numbers

CAS Registry Number

  • 99-63-8

FDA UNII

  • 6A3LDJ6CL3

Other Registry Number

  • 188665-61-4

System Generated Number

  • 0000099638

Structure Descriptors

InChI

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

InChIKey

FDQSRULYDNDXQB-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2221mg/kg (2221mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(7), Pg. 75, 1982.
rabbit LD50 oral 1175mg/kg (1175mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 47(7), Pg. 75, 1982.
rabbit LD50 skin 1410mg/kg (1410mg/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LC inhalation > 31gm/m3/4H (31000mg/m3)   National Technical Information Service. Vol. OTS0533736,
rat LD50 oral 2200mg/kg (2200mg/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 43.5 deg C   EXP
Boiling Point 276 deg C   EXP
log P (octanol-water) 0.880 (none)   EST
Atmospheric OH Rate Constant 1.62E-12 cm3/molecule-sec 25 EST

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