Methyl 3-bromobenzoate Structure

Methyl 3-bromobenzoate

Chemical Properties

Melting point 31-33 °C(lit.)
Boiling point 127-128 °C15 mm Hg(lit.)
Density  1.5313 (rough estimate)
refractive index  1.5575
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
form  Crystalline Solid or Liquid
color  White to light yellow
Water Solubility  Slightly soluble in water.
BRN  1940810
InChI InChI=1S/C8H7BrO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
InChIKey KMFJVYMFCAIRAN-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC=CC(Br)=C1
CAS DataBase Reference 618-89-3(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3-bromo-, methyl ester(618-89-3)
EPA Substance Registry System Benzoic acid, 3-bromo-, methyl ester (618-89-3)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Skull and Crossbones (GHS06)
Signal wordDanger
Hazard statements H301+H331-H315-H319-H335
Precautionary statements P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  37/39-26-24/25
WGK Germany  3
TSCA  TSCA listed
HS Code  29163990
Storage Class 11 - Combustible Solids
NFPA 704:
0
2 0

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