4-Nitrotoluene CAS#99-99-0

CAS Number: 99-99-0
Chemical Formula: C7H7NO2
Synonyms:

NCI-C60537
nitrotoluenos
p-Methylnitrobenzene

Appearance: Yellow Flakes

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

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).

4-Nitrotoluene Chemical Properties

Melting point	52-54 °C (lit.)
Boiling point	238 °C (lit.)
bulk density	700kg/m3
density	1.392 g/mL at 25 °C (lit.)
vapor density	4.7 (vs air)
vapor pressure	5 mm Hg ( 85 °C)
refractive index	1.5382
Fp	223 °F
storage temp.	2-8°C
solubility	0.26g/l
pka	11.27 (Perrin, 1972)
form	Crystalline Solid
color	Yellow
Specific Gravity	1.392
explosive limit	1.6%(V)
Water Solubility	0.35 g/L (20 ºC)
Merck	14,6650
BRN	1906911
Henry's Law Constant	5.64 at 25 °C (thermodynamic method-GC/UV spectrophotometry, Altschuh et al., 1999)
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).
Dielectric constant	22.2（58.0℃）
Stability:	Stability May be shock sensitive. Incompatible with sulfuric acid, strong bases, reducing agents, strong oxidizing agents.
InChI	1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey	ZPTVNYMJQHSSEA-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1)[N+]([O-])=O
LogP	2.37 at 25℃
CAS DataBase Reference	99-99-0(CAS DataBase Reference)
NIST Chemistry Reference	Benzene, 1-methyl-4-nitro-(99-99-0)
IARC	3 (Vol. 65) 1996
EPA Substance Registry System	p-Nitrotoluene (99-99-0)

Safety Information

Hazard Codes	T,N,F,Xn
Risk Statements	23/24/25-33-51/53-36/37/38-11-36-20/21/22
Safety Statements	28-37-45-61-28A-27-16-36/37-26
OEB	A
OEL	TWA: 2 ppm (11 mg/m3) [skin]
RIDADR	UN 3446 6.1/PG 2
WGK Germany	2
RTECS	XT3325000
Autoignition Temperature	734 °F
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	II
HS Code	29042000
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 2 STOT RE 2
Hazardous Substances Data	99-99-0(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 1960 mg/kg LD50 dermal Rat > 16000 mg/kg