Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,4-Dichlorophenyl isocyanate
RN: 102-36-3
UNII: OZW0B7F1DU
InChIKey: MFUVCHZWGSJKEQ-UHFFFAOYSA-N

Classification Code

  • Threshold Planning Quantity (TPQ) = 500/10000 lb

Molecular Formula

  • C7-H3-Cl2-N-O

Molecular Weight

  • 188.0127
 
* 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

  • 3,4-Dichlorophenyl isocyanate

Synonyms

  • 1,2-Dichloro-4-isocyanatobenzene
  • 3,4-Dichlorfenylisokyanat
  • 3,4-Dichlorfenylisokyanat [Czech]
  • 3,4-Dichlorophenyl isocyanate
  • 3-12-00-01405 (Beilstein Handbook Reference)
  • AI3-28284
  • Benzene, 1,2-dichloro-4-isocyanato-
  • BRN 0608325
  • EC 203-026-2
  • EINECS 203-026-2
  • HSDB 5348
  • Isocyanic acid, 3,4-dichlorophenyl ester
  • NSC 76605
  • UNII-OZW0B7F1DU

Systematic Names

  • 3,4-Dichlorophenyl isocyanate
  • Benzene, 1,2-dichloro-4-isocyanato-
  • Isocyanic acid, 3,4-dichlorophenyl ester

Superlist Names

  • Benzene, 1,2-dichloro-4-isocyanato-
  • Isocyanic acid, 3,4-dichlorophenyl ester

Registry Numbers

CAS Registry Number

  • 102-36-3

FDA UNII

  • OZW0B7F1DU

System Generated Number

  • 0000102363

Structure Descriptors

InChI

1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H

InChIKey

MFUVCHZWGSJKEQ-UHFFFAOYSA-N

Smiles

c1cc(c(cc1N=C=O)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 140mg/m3/2H (140mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 931, 1986.
rat LC50 inhalation 2700mg/m3/4H (2700mg/m3) BEHAVIORAL: ATAXIA

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0571316,
rat LD skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0533572,
rat LD50 oral 91mg/kg (91mg/kg)   National Technical Information Service. Vol. OTS0528439,
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. OTS0538092,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 43 deg C   EXP
log P (octanol-water) 3.880 (none)   EST
Water Solubility 24.3 mg/L 25 EST
Vapor Pressure 0.56 mm Hg 43 EXP
Henry's Law Constant 1.28E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.39E-13 cm3/molecule-sec 25 EST

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