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Substance Name: 2,4,6-Tribromophenol
RN: 118-79-6
UNII: YS6K3EU393
InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

Note

  • Chemical remains on MTL because of additional testing actions (see OPPT Dioxins/Furans in Organic Chemicals listing)

Molecular Formula

  • C6-H3-Br3-O

Molecular Weight

  • 330.801
 

Classification Codes

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)

Superlist Classification Code

  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • 2,4,6-Tribromophenol

Synonyms

  • 2,4,6-Tribromophenol
  • AI3-14896
  • Bromkal pur 3
  • Bromol
  • CCRIS 1658
  • EC 204-278-6
  • EINECS 204-278-6
  • Flammex 3BP
  • HSDB 5584
  • NSC 2136
  • Phenol, 2,4,6-tribromo-
  • TA 10
  • Tribromophenol
  • UNII-YS6K3EU393
  • Xeroform

Systematic Names

  • 2,4,6-Tribromophenol
  • Phenol, 2,4,6-tribromo-

Superlist Names

  • 2,4,6-Tribromophenol
  • Phenol, 2,4,6-tribromo-

Registry Numbers

CAS Registry Number

  • 118-79-6

FDA UNII

  • YS6K3EU393

Related Registry Number

  • 5175-83-7 (bismuth(3+) salt)

System Generated Number

  • 0000118796

Structure Descriptors

InChI

1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

InChIKey

BSWWXRFVMJHFBN-UHFFFAOYSA-N

Smiles

c1(c(cc(Br)cc1Br)Br)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 3gm/kg (3000mg/kg)   National Technical Information Service. Vol. OTS0522208,
rat LC50 inhalation > 1630mg/m3/4H (1630mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION

SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
National Technical Information Service. Vol. OTS0523305,
rat LD50 oral 2gm/kg (2000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 524, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 95.5 deg C   EXP
Boiling Point 286 deg C   EXP
pKa Dissociation Constant 6.8 (none) 25 EXP
log P (octanol-water) 4.13 (none)   EXP
Water Solubility 70 mg/L 15 EXP
Vapor Pressure 3.03E-04 mm Hg 25 EST
Henry's Law Constant 3.55E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.75E-13 cm3/molecule-sec 25 EST

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