4-(2-THIENYL)BENZOIC ACID Structure

4-(2-THIENYL)BENZOIC ACID

Chemical Properties

Melting point 240 °C
Boiling point 372.8±25.0 °C(Predicted)
Density  1.303±0.06 g/cm3(Predicted)
storage temp.  2-8°C(protect from light)
form  solid
pka 4.22±0.10(Predicted)
color  Yellow
InChI 1S/C11H8O2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)
InChIKey CVDUBQJEQNRCIZ-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)-c2cccs2
CAS DataBase Reference 29886-62-2(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P501
Hazard Codes  Xi,Xn
Risk Statements  22
WGK Germany  3
Hazard Note  Irritant
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
NFPA 704:
0
2 0

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