CAS 21248-45-3 (2,6-Dichlorophenylthio)Acetic Acid (HCID 1810591)

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Basic information

CAS: 21248-45-3
Standard SMILES: O=C(O)CSc1c(Cl)cccc1Cl
InChIKey: URNRRSJGOOTQBO-UHFFFAOYSA-N
Molecular formula: C8H6Cl2O2S
Average molar mass: 237.1 g/mol

Names & identifiers

Preferred name: (2,6-Dichlorophenylthio)Acetic Acid
IUPAC: 2-(2,6-dichlorophenyl)sulfanylacetic acid

Names & synonyms

21248-45-3(2,6-Dichlorophenylthio)Acetic Acid2-((2,6-Dichlorophenyl)thio)acetic acid2-(2,6-dichlorophenyl)sulfanylacetic Acid(2,6-DICHLOROPHENYLTHIO) ACETIC ACIDMFCD00052108[(2,6-dichlorophenyl)thio]acetic acidSCHEMBL3064663URNRRSJGOOTQBO-UHFFFAOYSA-N2,6-dichlorothiophenoxyacetic acidWAA24845AKOS000117634

Show more names

2-(2,6-dichlorophenylthio)acetic acid2-((2,6-Dichlorophenyl)thio)aceticacidNCGC00343085-01AS-40550[(2,6-dichlorophenyl)sulfanyl]acetic acidST504075862-[(2,6-dichlorophenyl)sulfanyl]acetic acidEN300-07881

Database identifiers

CAS: 21248-45-3
PubChem CID: 1810591
EC Number: 681-522-1

Properties

Computed structural propertiesFilling in

XLogP: 3.3
Topological polar surface area: 62.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 179

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.