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115-28-6

Name Chlorendic acid
CAS 115-28-6
EINECS(EC#) 204-078-9
Molecular Formula C9H4Cl6O4
MDL Number MFCD00167589
Molecular Weight 388.84
MOL File 115-28-6.mol

Chemical Properties

Appearance solid
Melting point  239-242 °C(lit.)
Boiling point  175°C (rough estimate)
density  1.7157 (estimate)
storage temp.  Amber Vial, -20°C Freezer
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 1.26±0.70(Predicted)
color  White to Off-White
Stability: Stable. Incompatible with strong oxidizing agents.
InChI InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
InChIKey DJKGDNKYTKCJKD-UHFFFAOYSA-N
SMILES ClC12C(=C(C(C(C1C(=O)O)C(=O)O)(C2(Cl)Cl)Cl)Cl)Cl
CAS DataBase Reference 115-28-6(CAS DataBase Reference)
IARC 2B (Vol. 48) 1990
NIST Chemistry Reference Bicyclo[2.2.1]-5-heptene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-(115-28-6)
EPA Substance Registry System 115-28-6(EPA Substance)

Safety Data

Hazard Codes  Xi
Risk Statements 
R40:Limited evidence of a carcinogenic effect.
R41:Risk of serious damage to eyes.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
WGK Germany  3
RTECS  RB9000000
HS Code  2917.20.0000
Safety Profile
Confirmed carcinogen with experimental carcinogenic data. A severe eye and mild skin irritant. When heated to decomposition it emits toxic fumes of Cl-.
Hazardous Substances Data 115-28-6(Hazardous Substances Data)

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