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99-08-1

Name 3-Nitrotoluene
CAS 99-08-1
EINECS(EC#) 202-728-6
Molecular Formula C7H7NO2
MDL Number MFCD00007265
Molecular Weight 137.14
MOL File 99-08-1.mol

Chemical Properties

Appearance Nitrotoluene is formed in 3 isomeric forms. The o-and m-forms are yellow liquids or solids. The p-form is a pale yellow crystalline solid. All have weak aromatic odors. The Odor Thresholds are: 0.05 mg/L (o-isomer); 1.74 ppm (m-isomer).
Melting point  15 °C
Boiling point  230-231 °C(lit.)
density  1.157 g/mL at 25 °C(lit.)
vapor density  4.73 (vs air)
vapor pressure  1 mm Hg ( 50.2 °C)
refractive index  n20/D 1.541(lit.)
Fp  215 °F
storage temp.  2-8°C
solubility  0.419g/l
form  Liquid
color  Clear yellow to yellow-brownish
Stability: Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases.
explosive limit 2.2%(V)
Water Solubility  insoluble
Merck  14,6650
BRN  1906910
Henry's Law Constant 9.31 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Dielectric constant 23.800000000000001
Exposure limits NIOSH REL: TWA 2 ppm (11 mg/m3), IDLH 200 ppm; OSHA PEL: TWA 5 ppm (30 mg/m3); ACGIH TLV: TWA 2 ppm (adopted).
LogP 2.4
Uses
Organic synthesis.
CAS DataBase Reference 99-08-1(CAS DataBase Reference)
IARC 3 (Vol. 65) 1996
NIST Chemistry Reference Benzene, 1-methyl-3-nitro-(99-08-1)
EPA Substance Registry System 99-08-1(EPA Substance)

Safety Data

Hazard Codes  T,F
Risk Statements 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin .
R11:Highly Flammable.
Safety Statements 
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) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37:Wear suitable gloves .
S27:Take off immediately all contaminated clothing .
S16:Keep away from sources of ignition-No smoking .
RIDADR  UN 1664 6.1/PG 2
WGK Germany  2
RTECS  XT2975000
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29042000
Hazardous Substances Data 99-08-1(Hazardous Substances Data)
Toxicity
Acute oral LD50 for guinea pigs 3,600 mg/kg, mice 330 mg/kg, rats 1,072 mg/kg, rabbits 2,400 (quoted, RTECS, 1985).

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