Sulfoacetic acid (HCID 31257)

Namen und Bezeichner

Bevorzugter Name: Sulfoacetic acid
IUPAC: 2-sulfoacetic acid
Lokaler Name: Sulfoessigsure
Englischer Name: Sulfoacetic acid
Summenformel: C2H4O5S
Molmasse: 140.12

Namen und Synonyme

SULFOACETIC ACID2-sulfoacetic acid123-43-3Acetic acid, sulfo-Acetic acid, 2-sulfo-Sulfoethanoic acidSulphoacetic acidKyselina sulfooctovaKyselina sulfooctova [Czech]HSDB 2706EINECS 204-627-2BRN 1764390

Weitere Namen anzeigen

sulfo-aceticacikyselinasulfooctova2-sulfoethanoic acidEpiprazole impurity 56SULFOACETIC ACID, TECH.

AI3-28536Y4XC05H603DTXSID8059556CHEBI:505192-SULFOACETIC ACID [MI]4-04-00-00102 (Beilstein Handbook Reference)Acetic acid, sulfoRefChem:889568

Datenbank-Bezeichner

CAS: 123-43-3
PubChem CID: 31257
DTXSID: DTXSID8059556
ChEBI: CHEBI:50519
UNII: Y4XC05H603
EC Number: 204-627-2
Nikkaji: J21.744A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,3
Polarare Oberfläche (TPSA): 100 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 171

Experimentelle und physikochemische Eigenschaften

Solubility · 3 Einträge

SOL IN WATER, & ALCOHOL; INSOL IN ETHER & CHLOROFORM /MONOHYDRATE/

SOL IN WATER, ALCOHOL, & ACETONE

INSOL IN ETHER & CHLOROFORM

Boiling PointDECOMP AT BP OF 245 °C

Melting Point84 °C

Physical DescriptionMonohydrate: Hygroscopic solid; [Merck Index]

Dissociation ConstantsPKA: 4.05

Other Experimental Properties · 3 Einträge

HYGROSCOPIC

TABLETS (WATER + 1)

CRYSTALS /MONOHYDRATE/

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-88 °C (lit.)
Siedepunkt: 245 °C · 245°C (rough estimate)
Dichte: 1.875 · 1.875
Dampfdruck: 0.001 Pa · 0.001Pa at 25℃
Brechungsindex: 1.436 · 1.4360 (estimate)
Aggregatzustand: solid
pka: 2 · pK2:4.0 (25°C)
Wasserlöslichkeit: 103.7 g/L · 103.7g/L at 25℃
Merck: 13 · 13,9042
InChI: 1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
InChIKey: AGGIJOLULBJGTQ-UHFFFAOYSA-N
SMILES: OC(=O)CS(O)(=O)=O
LogP: -0.88 at · -0.88 at 25℃
EPA chemische Informationen: Acetic acid, sulfo- (123-43-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Cease Manufacture Update: 20-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19709

Hazards Summary · 1 Eintrag

Emergency medical treatment: acids; [HSDB] Severe eye irritant in rabbit testing; [RTECS] A lachrymator; A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)

Sicherheit und Schutzausrüstung

Storage ConditionsSTORAGE REQUIREMENTS: KEEP WELL CLOSED.

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

Personal Protective Equipment (PPE)PERSONAL PROTECTIVE EQUIPMENT SHOULD BE WORN BY PERSONS HANDLING THE MATERIAL AND EYE PROTECTIVE EQUIPMENT SHOULD BE AVAILABLE.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Non-Human Toxicity Excerpts · 2 Einträge

SULFOACETIC ACID PRODUCES SEVERE SKIN AND EYE INJURY IN CONCENTRATED FORM.

...TESTED EXTERNALLY ON EYES OF RABBITS &.../RATED 9/ ON SCALE OF 1 TO 10 ACCORDING TO DEGREE OF INJURY OBSERVED AFTER 24 HR, PAYING PARTICULAR ATTENTION TO CONDITION OF CORNEA. MOST SEVERE INJURIES HAVE BEEN RATED 10.

Regulatorische Informationen

Regulatory InformationStatus: Cease Manufacture Update: 20-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19709

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
RTECS-Nr.: AJ4900000
risk_code: 34-36/37
Toxizität: rabbit,LD50,skin,1570mg/kg (1570mg/kg),Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Giftige Stoffe Daten: 123-43-3(Hazardous Substances Data)
Hazard Classifications: Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1BSTOT SE 3