400-98-6

Name 4-Amino-3-nitrobenzotrifluoride
CAS 400-98-6
EINECS(EC#) 206-926-3
Molecular Formula C7H5F3N2O2
MDL Number MFCD00007155
Molecular Weight 206.12
MOL File 400-98-6.mol

Chemical Properties

Appearance Whitetoyellowcrystalpowde
Melting point  105-106 °C(lit.)
Boiling point  265.6±40.0 °C(Predicted)
density  1.4711 (estimate)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  soluble in Methanol,Toluene
form  Crystals or Crystalline Powder
pka -2.54±0.10(Predicted)
color  Yellow to golden
BRN  650808
InChI InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChIKey ATXBGHLILIABGX-UHFFFAOYSA-N
SMILES C1(N)=CC=C(C(F)(F)F)C=C1[N+]([O-])=O
CAS DataBase Reference 400-98-6(CAS DataBase Reference)
NIST Chemistry Reference Aniline, 2-nitro-4-trifluoromethyl-(400-98-6)
EPA Substance Registry System 400-98-6(EPA Substance)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
Signal word  Warning
Hazard statements  H311-H301+H311+H331-H302-H312-H315-H319-H332-H335
Precautionary statements  P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P280h-P309-P310-P261-P280-P305+P351+P338
Hazard Codes  Xn,Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
RIDADR  UN2811
WGK Germany  3
Hazard Note  Irritant
TSCA  Yes
HazardClass  6.1
PackingGroup  III
HS Code  29214300
Storage Class 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

Hazard Information

Material Safety Data Sheet(MSDS)

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