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4-Nitroaniline Structure

4-Nitroaniline

Chemical Properties

Melting point 147 °C
Boiling point 332 °C
Density  1,437 g/cm3
bulk density 630kg/m3
vapor density  4.77 (vs air)
vapor pressure  1.33 hPa (142 °C)
refractive index  1.6465 (estimate)
Flash point 329 °F
storage temp.  Store below +30°C.
solubility  ethanol: soluble25mg/mL, slightly hazy, yellow to brownish-yellow
pka 1(at 25℃)
Colour Index  37035
form  crystalline
color  yellow
Specific Gravity 1.437
Odor Ammonia odor
PH Range 7
Water Solubility  0.8 g/L (20 ºC)
Specific Heat Capacity Cp(crystal): 1.21 J/(g·K), at 25℃
Merck  14,6584
BRN  508690
Henry's Law Constant 1.15 x 10-9 atmm3/mol at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
Exposure limits ACGIH:TLV-TWA 3 mg/m3
OSHA:PEL-TWA 1 ppm (6 mg/m3)
NIOSH:REL-TWA 3 mg/m3
Dielectric constant 56.3(160.0℃)
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.
InChI 1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChIKey TYMLOMAKGOJONV-UHFFFAOYSA-N
SMILES Nc1ccc(cc1)[N+]([O-])=O
LogP 1.2 at 30℃
CAS DataBase Reference 100-01-6(CAS DataBase Reference)
NIST Chemistry Reference p-Nitroaniline(100-01-6)
EPA Substance Registry System p-Nitroaniline (100-01-6)

Safety Information

Hazard Codes  T,F
Risk Statements  23/24/25-33-52/53-39/23/24/25-11
Safety Statements  28-36/37-45-61-28A-16-1/2-7
OEB B
OEL TWA: 3 mg/m3 [skin]
RIDADR  UN 1661 (NITROANILINES (o-, m-, p-))
WGK Germany  2
RTECS  BY7000000
F  8
Autoignition Temperature 500 °C
Hazard Note  Toxic
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  II
HS Code  29214210
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 3
STOT RE 2
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

MSDS

Usage And Synthesis

4-Nitroaniline Supplier