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Sulfoacetic acid

Sulfoacetic acid structure

CAS No:
123-43-3
Formula:
C2H4O5S
Chemical Name:
Sulfoacetic acid
Synonyms:
Acetic acid,2-sulfo-;Acetic acid,sulfo-;2-Sulfoacetic acid;Sulfoacetic acid;Sulfoethanoic acid;Carboxymethylsulfonic acid;44656-61-3
Categories:
Chemical Reagents > Organic Reagents

Description

Sulfoacetic acid is a carboxyalkanesulfonic acid that is the C-sulfo derivative of acetic acid. It has a role as an Escherichia coli metabolite. It derives from an acetic acid. It is a conjugate acid of a sulfonatoacetate.

Sulfoacetic acid Basic Attributes

Molecular Weight：

140.12

Exact Mass：

140.12

EC Number：

204-627-2

UNII：

Y4XC05H603

DSSTox ID：

DTXSID8059556

HScode：

2915900090

Characteristics

PSA：

100.05000

XLogP3：

0.03960

Density：

1.875g/cm3

Melting Point：

84 °C

Boiling Point：

DECOMP AT BP OF 245 DEG C

Refractive Index：

1.536

Water Solubility：

INSOL IN ETHER & CHLOROFORM

Storage Conditions：

STORAGE REQUIREMENTS: KEEP WELL CLOSED.

Dissociation Constants：

PKA: 4.05

Experimental Properties：

HYGROSCOPIC|TABLETS (WATER + 1)|CRYSTALS /MONOHYDRATE/

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

34-36/37

safety instructions：

26-27-28-36/37/39-45

RTECS Number：

AJ4900000

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H312-H314-H335

GHS Classification：

|Danger|H312 (95%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Personal Protective Equipment：

PERSONAL PROTECTIVE EQUIPMENT SHOULD BE WORN BY PERSONS HANDLING THE MATERIAL AND EYE PROTECTIVE EQUIPMENT SHOULD BE AVAILABLE.

Preventive Measures：

PREVENTION OF SKIN AND EYE CONTACT WITH THE SOLID OR CONCENTRATED SOLUTIONS IS NECESSARY IN INDUSTRIAL HANDLING.

Drug Information

Absorption：

IT IS EXCRETED AS SUCH BY RATS AFTER SUBCUTANEOUS INJECTION.

Sulfoacetic acid Use and Manufacturing

Manufacturing Info：

Acetic acid, 2-sulfo-: INACTIVE

Analytic Methods：

MONITORING METHODS: AIR: GAS CHROMATOGRAPHY. RANGE: 12.5-50 MG/CU M. /ACETIC ACID/

Computed Properties

Molecular Weight:140.12
XLogP3:-1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:139.97794440
Monoisotopic Mass:139.97794440
Topological Polar Surface Area:100
Heavy Atom Count:8
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes