3-Nitrotoluene CAS#99-08-1

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

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).

Stability:

Stable. Combustible. Incompatible with reducing agents, strong oxidizing agents, strong bases.

Major Application

environmental

InChI

1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3

InChIKey

QZYHIOPPLUPUJF-UHFFFAOYSA-N

SMILES

Cc1cccc(c1)[N+]([O-])=O

LogP

2.4

Surface tension

41.4mN/m at 20°C

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

m-Nitrotoluene (99-08-1)

Safety Information

Risk Statements 

23/24/25-33-51/53-36/37/38-11-36-20/21/22

Safety Statements 

36/37-45-61-37-28A-27-16-26

RIDADR 

UN 1664 6.1/PG 2

OEB

A

OEL

TWA: 2 ppm (11 mg/m3) [skin]

WGK Germany 

2

RTECS 

XT2975000

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. 4 Oral
Aquatic Chronic 2
STOT RE 2

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).