118-79-6

Name 2,4,6-Tribromophenol
CAS 118-79-6
EINECS(EC#) 204-278-6
Molecular Formula C6H3Br3O
MDL Number MFCD00002150
Molecular Weight 330.8
MOL File 118-79-6.mol
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Chemical Properties

Appearance WHITE TO SLIGHTLY BROWN POWDER
Melting point  90-94 °C(lit.)
Boiling point  282-290 °C746 mm Hg(lit.)
density  2.55
vapor density  11.4 (vs air)
vapor pressure  0.042-0.063Pa at 25℃
refractive index  1.5580 (estimate)
Fp  282-290°C subl.
storage temp.  2-8°C
solubility  water: soluble0.007g/100ml at 25°C
form  Powder
pka 6.34±0.23(Predicted)
color  White to slightly brown
Water Solubility  71 mg/L (15 ºC)
Merck  14,9613
BRN  776920
Henry's Law Constant 2.1×102 mol/(m3Pa) at 25℃, HSDB (2015)
Major Application environmental
InChI 1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey BSWWXRFVMJHFBN-UHFFFAOYSA-N
SMILES Oc1c(Br)cc(Br)cc1Br
LogP 3.7-3.89 at 23.5-25℃
CAS DataBase Reference 118-79-6(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2,4,6-tribromo-(118-79-6)
EPA Substance Registry System 118-79-6(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
Signal word  Warning
Hazard statements  H317-H319-H400
Precautionary statements  P273-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi,N,Xn,T,F
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R20/22:Harmful by inhalation and if swallowed .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
R63:Possible risk of harm to the unborn child.
R43:May cause sensitization by skin contact.
R45:May cause cancer.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37/39:Wear suitable gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S53:Avoid exposure-obtain special instruction before use .
RIDADR  UN 1230 3/PG 2
WGK Germany  2
RTECS  SN1225000
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29081990
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Acute 1
Eye Irrit. 2
Skin Sens. 1
Hazardous Substances Data 118-79-6(Hazardous Substances Data)
Toxicity
guinea pig,LDLo,oral,3gm/kg (3000mg/kg),National Technical Information Service. Vol. OTS0522208,

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