117-08-8

Name 4,5,6,7-Tetrachloro-1,3-isobenzofurandione
CAS 117-08-8
EINECS(EC#) 204-171-4
Molecular Formula C8Cl4O3
MDL Number MFCD00005920
Molecular Weight 285.9
MOL File 117-08-8.mol
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Chemical Properties

Appearance white needle-like crystals or powder
Melting point  253-257 °C(lit.)
Boiling point  371 °C(lit.)
density  1.49
vapor pressure  0.16 mm Hg ( 145 °C)
Fp  362°C
storage temp.  Store below +30°C.
solubility  Chloroform (Slightly, Heated), DMSO (Heated), Methanol (Slightly, Heated)
form  Flakes
pka 3.01[at 20 ℃]
color  White to off-white
Stability: Stable. Reacts with water. Combustible. Incompatible with strong oxidizing agents. Air and moisture sensitive.
Water Solubility  0.8 mg/L (21 ºC)
Sensitive  Moisture Sensitive
BRN  211560
Henry's Law Constant 5.2×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
Exposure limits ACGIH: TWA 0.002 mg/m3 (Skin)
InChI 1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
InChIKey AUHHYELHRWCWEZ-UHFFFAOYSA-N
SMILES Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl
LogP 3.2 at 25℃
Uses
Intermediate in dyes, pharmaceuticals, plasticizers, and other organic materials; flame-retardant in epoxy resins.
CAS DataBase Reference 117-08-8(CAS DataBase Reference)
NIST Chemistry Reference 1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-(117-08-8)
EPA Substance Registry System 117-08-8(EPA Substance)
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Safety Data

Hazard Codes  T,N,Xn
Risk Statements 
R45:May cause cancer.
R41:Risk of serious damage to eyes.
R42/43:May cause sensitization by inhalation and skin contact .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S22:Do not breathe dust .
S24:Avoid contact with skin .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
RIDADR  UN 3077 9/PG 3
WGK Germany  2
RTECS  TI3450000
F  10-21
TSCA  Yes
REACH Registrations Active
HazardClass  9
PackingGroup  III
HS Code  29173990
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Carc. 1B
Eye Dam. 1
Resp. Sens. 1
Skin Sens. 1
STOT RE 2
Hazardous Substances Data 117-08-8(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: > 15800 mg/kg LD50 dermal Rabbit > 5000 mg/kg

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Material Safety Data Sheet(MSDS)

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