CAS 123-43-3 Sulfoacetic acid (HCID 31257)

Names & identifiers

Preferred name: Sulfoacetic acid
IUPAC: 2-sulfoacetic acid
English name: Sulfoacetic acid
Molecular formula: C2H4O5S
Molecular weight: 140.12

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 171

Experimental & physicochemical properties

Solubility · 3 items

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 items

HYGROSCOPIC

TABLETS (WATER + 1)

CRYSTALS /MONOHYDRATE/

Physicochemical properties

Melting point: 81 · 81-88 °C (lit.)
Boiling point: 245 °C · 245°C (rough estimate)
Density: 1.875 · 1.875
vapor pressure: 0.001 Pa · 0.001Pa at 25℃
refractive index: 1.436 · 1.4360 (estimate)
form: solid
pka: 2 · pK2:4.0 (25°C)
Water Solubility: 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℃
FDA UNII: 4 XC05H603 · Y4XC05H603
EPA Substance Registry System: Acetic acid, sulfo- (123-43-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 312 · H312-H314-H335
Precautionary statements: 260 · P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 4900000 · AJ4900000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 DermalEye · Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1BSTOT SE 3
Hazardous Substances Data: 123 · 123-43-3(Hazardous Substances Data)
Toxicity: 50 · rabbit,LD50,skin,1570mg/kg (1570mg/kg),Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Hazards Summary · 1 item

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%)

Safety & protection

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.

Toxicology

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 items

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.

Regulatory information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
tsca: TSCA listed
rtecs: AJ4900000
ridadr: UN 3261 8/PG 2
Toxicity: rabbit,LD50,skin,1570mg/kg (1570mg/kg),Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
target organs: Respiratory system
Hazard statements: H312-H314-H335
REACH Registrations: Inactive
Hazard Classifications: Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1BSTOT SE 3
Precautionary statements: P260-P271-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338
Hazardous Substances Data: 123-43-3(Hazardous Substances Data)