3-Bromotoluene Structure

3-Bromotoluene

Chemical Properties

Melting point -40 °C
Boiling point 183.7 °C(lit.)
Density  1.41 g/mL at 25 °C(lit.)
vapor pressure  2.04 hPa ( 25 °C)
refractive index  n20/D 1.552(lit.)
Flash point 140 °F
storage temp.  Store below +30°C.
solubility  0.05g/l
form  Liquid
Specific Gravity 1.410
color  Clear colorless to light yellow
Water Solubility  insoluble
Merck  14,1439
BRN  1903633
Henry's Law Constant 1.5×10-3 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Dielectric constant 5.3600000000000003
InChI 1S/C7H7Br/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey WJIFKOVZNJTSGO-UHFFFAOYSA-N
SMILES Cc1cccc(Br)c1
CAS DataBase Reference 591-17-3(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 9426O61G73
NIST Chemistry Reference Benzene, 1-bromo-3-methyl-(591-17-3)
EPA Substance Registry System m-Bromotoluene (591-17-3)
UNSPSC Code 12352101
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302-H315-H319-H226
Precautionary statements P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235
Hazard Codes  Xn,Xi
Risk Statements  22-36/37/38
Safety Statements  26-36-37/39
RIDADR  UN 1993 3/PG 3
WGK Germany  3
RTECS  XS7965400
F  8
Hazard Note  Harmful/Irritant
TSCA  TSCA listed
HazardClass  3
HS Code  29036990
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 3 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 591-17-3(Hazardous Substances Data)
NFPA 704:
2
2 0

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