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100-01-6

Name 4-Nitroaniline
CAS 100-01-6
EINECS(EC#) 202-810-1
Molecular Formula C6H6N2O2
MDL Number MFCD00007858
Molecular Weight 138.12
MOL File 100-01-6.mol

Chemical Properties

Appearance p-Nitroaniline consists of yellow crystals with a pungent, faint ammonia-like odor.
Melting point  147 °C
Boiling point  332 °C
density  1,437 g/cm3
vapor density  4.77 (vs air)
vapor pressure  1.33 hPa (142 °C)
refractive index  1.6465 (estimate)
Fp  329 °F
storage temp.  Store at R.T.
solubility  ethanol: soluble25mg/mL, slightly hazy, yellow to brownish-yellow
Colour Index  37035
form  crystalline
pka 1(at 25℃)
color  yellow
Specific Gravity 1.437
Odor Ammonia odor
PH Range 7
Stability: Stable. Incompatible with sodium hydroxide, strong oxidizing agents, strong reducing agents. May attack some plastics, rubber and coatings. May decompose explosively in the presence of initiators. Moisture sensitive. May be light and air-sensitive.
Water Solubility  0.8 g/L (20 ºC)
Detection Methods HPLC,NMR
Merck  14,6584
BRN  508690
Henry's Law Constant 1.15 x 10-9 atm?m3/mol at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Dielectric constant 56.3(160.0℃)
Exposure limits NIOSH REL: TWA 3; IDLH 300; OSHA PEL: TWA 6; ACGIH TLV: TWA 3 (adopted).
LogP 1.2 at 30℃
CAS DataBase Reference 100-01-6(CAS DataBase Reference)
NIST Chemistry Reference p-Nitroaniline(100-01-6)
Storage Precautions Moisture sensitive
EPA Substance Registry System 100-01-6(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.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
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 .
S16:Keep away from sources of ignition-No smoking .
S1/2:Keep locked up and out of the reach of children .
S7:Keep container tightly closed .
RIDADR  UN 1661 6.1/PG 2
WGK Germany  2
RTECS  BY7000000
8
Autoignition Temperature 500 °C
Hazard Note  Toxic
TSCA  Yes
HazardClass  6.1
PackingGroup  II
HS Code  29214210
Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by intramuscular route. Mutation data reported. Acute symptoms of exposure are headache, nausea, vomiting, weakness and stupor, cyanosis and methemoglobinemia. Chronic exposure can cause liver damage. Experimental reproductive effects. Combustible when exposed to heat or flame. See NITRATES for explosion and disaster hazards. To fight fire, use water spray or mist, foam, dry chemical, CO2. Vigorous reaction with sulfuric acid above 200°C. Reaction with sodium hydroxide at 13O°C under pressure may produce the explosive sodium-4-nitrophenoxide. When heated to decomposition it emits toxic fumes of NOx. See also m- NITROANILINE, o-NITROANILINE, NITRO COMPOUNDS OF AROMATIC HYDROCARBONS, and ANILINE DYES.
Hazardous Substances Data 100-01-6(Hazardous Substances Data)
Toxicity
Acute LD50 for wild birds 75 mg/kg, guinea pigs 450 mg/kg, mice 810 mg/kg, quail 1,000 mg/kg, rats 750 mg/kg (quoted, RTECS, 1985).
IDLA 300 mg/m3

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