Product Number: 69812517
CAS Registry Number: 69812-51-7
Name:
Benzoic acid, 4-(chlorosulfonyl)-, methyl ester
Benzoic acid, p-(chlorosulfonyl)-, methyl ester (6CI); 4-(Methoxycarbonyl)benzenesulfonyl chloride; 4-Carbomethoxybenzenesulfonyl chloride; 4-Chlorosulfonylbenzoic acid methyl ester; Methyl 4-(chlorosulfonyl)benzoate; Methyl p-(chlorosulfonyl)benzoate; p-(Carbomethoxy)benzenesulfonyl chloride
Chemical Formula: C8H7ClO4S
Exact Mass: 233.98
Molecular Weight: 234.66
m/z: 233.98 (100.0%), 235.97 (36.5%), 234.98 (8.9%), 236.98 (2.9%), 237.97 (1.5%), 235.98 (1.2%)
Elemental Analysis: C, 40.95; H, 3.01; Cl, 15.11; O, 27.27; S, 13.66
InChI: InChI=1S/C8H7ClO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3
InChIKey: MOFQDKOKODUZPK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
| Thermal Properties |
Value |
Condition |
Note |
| Boiling Point |
126 °C |
Press: 0.05 Torr |
(1)CAS |
| Melting Point |
72-73 °C |
|
(1)CAS |
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