Benzoic acid,5-(chlorosulfonyl)-2-methyl- supplier

Name
Benzoic acid, 5-(chlorosulfonyl)-2-methyl- (9CI)
EINECS
CAS No. 89001-57-0
Article Data9
CAS DataBase
Density 1.514 g/cm³
Solubility
Melting Point 152-154°
Formula C₈H₇ClO₄S
Boiling Point 398.7 °C at 760 mmHg
Molecular Weight 234.66
Flash Point 194.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-5-(chlorosulfonyl)benzoicacid;3-Carboxy-4-methylbenzenesulfonyl chloride;5-Chlorosulfonyl-2-methylbenzoic acid;NSC 210248;
PSA 79.82000
LogP 2.70150

Benzoic acid,5-(chlorosulfonyl)-2-methyl- Specification

The Benzoic acid,5-(chlorosulfonyl)-2-methyl-, with its CAS registry number 89001-57-0, has its systematic name of 5-(chlorosulfonyl)-2-methylbenzoic acid. This chemical has its molecular formula of C₈H₇ClO₄S and molecular weight of 234.65. Besides, it should be kept in the cool and dry place.

Physical properties of Benzoic acid,5-(chlorosulfonyl)-2-methyl-: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.06; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 68.82 Å²; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 51.3 cm³; (13)Molar Volume: 154.8 cm³; (14)Polarizability: 20.33×10^-24cm³; (15)Surface Tension: 54.5 dyne/cm; (16)Density: 1.514 g/cm³; (17)Flash Point: 194.9 °C; (18)Enthalpy of Vaporization: 68.48 kJ/mol; (19)Boiling Point: 398.7 °C at 760 mmHg ; (20)Vapour Pressure: 4.5E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(O)c1cc(ccc1C)S(Cl)(=O)=O
(2)Std. InChI:InChI=1S/C8H7ClO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
(3)Std. InChIKey:FMWIOAWRARBKDQ-UHFFFAOYSA-N

Product Name

Benzoic acid, 5-(chlorosulfonyl)-2-methyl- (9CI)

Benzoic acid,5-(chlorosulfonyl)-2-methyl- Specification

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