Sulfoacetic acid (HCID 31257)

이름 및 식별자

우선 이름: Sulfoacetic acid
IUPAC: 2-sulfoacetic acid
영어명: Sulfoacetic acid
분자식: C2H4O5S
분자량: 140.12

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 100 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 171

실험 및 물리화학적 성질

Solubility · 3건

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 · 3건

HYGROSCOPIC

TABLETS (WATER + 1)

CRYSTALS /MONOHYDRATE/

물리화학적 성질

녹는점: 81 · 81-88 °C (lit.)
끓는 점: 245 °C · 245°C (rough estimate)
밀도: 1.875 · 1.875
증기압: 0.001 Pa · 0.001Pa at 25℃
굴절률: 1.436 · 1.4360 (estimate)
물리적 상태: 고체
산도 계수 (pKa): 2 · pK2:4.0 (25°C)
수용성: 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: Acetic acid, sulfo- (123-43-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

Hazards Summary · 1건

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%)

안전 및 보호

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.

독성 정보

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 · 2건

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.

규제 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: AJ4900000
ridadr: UN 3261 8/PG 2
독성: rabbit,LD50,skin,1570mg/kg (1570mg/kg),Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials
유해 물질 데이터: 123-43-3(Hazardous Substances Data)