33629-47-9

Name BUTRALIN
CAS 33629-47-9
EINECS(EC#) 251-607-4
Molecular Formula C14H21N3O4
MDL Number MFCD00128046
Molecular Weight 295.33
MOL File 33629-47-9.mol

Chemical Properties

Appearance Butralin is a yelloworange crystalline solid or liquid. Commercial product is available as an emulsifiable concentrate.
Melting point  60-61°
Boiling point  bp0.5 134-136°
density  1.1489 (rough estimate)
vapor pressure  0.001Pa at 25℃
refractive index  1.5700 (estimate)
Fp  open cup: 97°F (36°C)
storage temp.  0-6°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
form  neat
pka -3.50±0.50(Predicted)
color  Yellow to orange
Water Solubility  308μg/L at 25℃
Merck  13,1531
BRN  2947948
Henry's Law Constant 2.0×100 mol/(m3Pa) at 25℃, HSDB (2015)
InChI 1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3
InChIKey SPNQRCTZKIBOAX-UHFFFAOYSA-N
SMILES CCC(C)Nc1c(cc(cc1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O
LogP 4.93 at 23℃
CAS DataBase Reference 33629-47-9(CAS DataBase Reference)
EPA Substance Registry System Butralin (33629-47-9)

Safety Data

Hazard Codes  T,N
Risk Statements 
R24:Toxic in contact with skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
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  1325
WGK Germany  3
RTECS  BW9500000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  4.1
PackingGroup  II
HS Code  29214990
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Repr. 2
Hazardous Substances Data 33629-47-9(Hazardous Substances Data)
Toxicity
LD50 orally in rats: 2500 mg/kg (McLane)

Raw materials And Preparation Products

Hazard Information

Well-known Reagent Company Product Information

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