3-Bromoadamantane-1-carboxylic acid Structure

3-Bromoadamantane-1-carboxylic acid

Chemical Properties

Melting point 147 °C
Boiling point 354.2±25.0 °C(Predicted)
Density  1.665±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka 4.35±0.40(Predicted)
form  Solid
color  Pale Brown
InChI InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey DJUDQBVINJIMFO-UHFFFAOYSA-N
SMILES C12(C(O)=O)CC3CC(CC(Br)(C3)C1)C2
CAS DataBase Reference 21816-08-0(CAS DataBase Reference)
EWG's Food Scores 1
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39-37/39
WGK Germany  3
RTECS  AU4452500
HazardClass  IRRITANT
HS Code  2916200090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
0
2 0

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