Product Number: 1205067
CAS Registry Number 1205-06-7
Name:
Benzoic acid, 4-isothiocyanato-, ethyl ester
Benzoic acid, p-isothiocyanato-, ethyl ester (7CI,8CI)
4-(Ethoxycarbonyl)phenyl isothiocyanate
4-Carbethoxyphenyl isothiocyanate
Ethyl 4-isothiocyanatobenzoate
NSC 294821
Chemical Formula: C10H9NO2S
Exact Mass: 207.04
Molecular Weight: 207.25
m/z: 207.04 (100.0%), 208.04 (11.0%), 209.03 (4.5%), 208.03 (1.2%), 209.04 (1.1%)
InChI:InChI=1S/C10H9NO2S/c1-2-13-10(12)8-3-5-9(6-4-8)11-7-14/h3-6H,2H2,1H3
InChI Key:MLOJHUCMCKBDLV-UHFFFAOYSA-N
Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)N=C=S
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
123-127 °C |
Press: 0.1 Torr |
(1)CAS |
| Melting Point |
98 °C |
|
(6)CAS |
| Melting Point |
51-53 °C |
|
(7)CAS |
| Melting Point |
47-50 °C |
Solv: ethyl acetate (141-78-6); hexane (110-54-3) |
(4)CAS |
| Melting Point |
See full text |
|
(1)CAS |
|
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