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2-(p-Toluenesulfonyloxy)aceticAcid

2-(p-Toluenesulfonyloxy)aceticAcid structure

CAS No:
39794-77-9
Formula:
C9H10O5S
Chemical Name:
2-(p-Toluenesulfonyloxy)aceticAcid
Synonyms:
Tosylglycolic Acid;2-(p-Toluenesulfonyloxy)acetic Acid;2-(tosyloxy)acetic acid;Acetic acid, 2-[[(4-methylphenyl)sulfonyl]oxy]-

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2-(p-Toluenesulfonyloxy)aceticAcid Basic Attributes

Molecular Weight：

230.24

Exact Mass：

230.02489459 g/mol

NSC Number：

16555

DSSTox ID：

DTXSID60280361

Characteristics

PSA：

89 Å²

Density：

1.395±0.06 g/cm3

Melting Point：

138.0 to 142.0 °C

Boiling Point：

424.3±28.0 °C(Predicted)

PKA：

2.02±0.10

Safety Information

GHS Classification：

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-(p-Toluenesulfonyloxy)aceticAcid Use and Manufacturing

An intermediate of Cefmetazole (C242850).

Computed Properties

Molecular Weight:230.24
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:230.02489459
Monoisotopic Mass:230.02489459
Topological Polar Surface Area:89
Heavy Atom Count:15
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(p-Toluenesulfonyloxy)aceticAcid

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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