Molecular Structure of Ethyl 2-bromoheptanoate (CAS NO.5333-88-0):

IUPAC Name: Ethyl 2-bromoheptanoate
Canonical SMILES: CCCCCC(C(=O)OCC)Br
InChI: InChI=1S/C9H17BrO2/c1-3-5-6-7-8(10)9(11)12-4-2/h8H,3-7H2,1-2H3
InChIKey: GNCLPIAYAPQPOU-UHFFFAOYSA-N
Molecular Weight: 237.13408 [g/mol]
Molecular Formula: C₉H₁₇BrO₂
XLogP3-AA: 3.6
H-Bond Donor: 0
H-Bond Acceptor: 2 
EINECS: 226-249-7 
Index of Refraction: 1.46
Molar Refractivity: 53.21 cm³
Molar Volume: 194.1 cm³ 
Surface Tension: 32.7 dyne/cm
Density: 1.221 g/cm³
Flash Point: 101.9 °C
Enthalpy of Vaporization: 47.38 kJ/mol
Boiling Point: 237 °C at 760 mmHg
Vapour Pressure: 0.0459 mmHg at 25 °C

Hazard Codes: C
Risk Statements: 34-36/37 
R34:Causes burns. 
R36/37:Irritating to eyes and respiratory system.
Safety Statements: 26-27-28-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S27:Take off immediately all contaminated clothing. 
S28:After contact with skin, wash immediately with plenty of soap-suds. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3265 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup of Ethyl 2-bromoheptanoate (CAS NO.5333-88-0): III

  Ethyl 2-bromoheptanoate (CAS NO.5333-88-0), its Synonyms are Heptanoic acid, 2-bromo-, ethyl ester ; 2-Bromoheptanoic acid ethyl ester .