Sulfoacetic acid (HCID 31257)

名称と識別子

優先名称: Sulfoacetic acid
IUPAC: 2-sulfoacetic acid
現地名: 2-スルホ酢酸
英語名: Sulfoacetic acid
分子式: C2H4O5S
分子量: 140.12

名称と別名

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

名称をさらに表示

スルホ酢酸2-スルホ酢酸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

データベース識別子

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

物性

構造計算による物性

XLogP: -1.3
極性表面積: 100 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 171

実験および物理化学的性質

Solubility · 3 件

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 件

HYGROSCOPIC

TABLETS (WATER + 1)

CRYSTALS /MONOHYDRATE/

物理化学的性質

融点: 81 · 81-88 °C (lit.)
沸点: 245 °C · 245°C (rough estimate)
比重(密度): 1.875 · 1.875
蒸気圧: 0.001 Pa · 0.001Pa at 25℃
屈折率: 1.436 · 1.4360 (estimate)
外見: 個体
酸解離定数(Pka): 2 · pK2:4.0 (25°C)
水溶解度: 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の化学物質情報: Acetic acid, sulfo- (123-43-3)

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

Hazards Summary · 1 件

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%)

安全と保護具

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.

毒性情報

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 件

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.

法規制情報

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AJ4900000
ridadr: UN 3261 8/PG 2
毒性: 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
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 DermalEye Dam. 1Skin Corr. 1BSTOT SE 3
ストレージクラス: 8A - Combustible corrosive hazardous materials
有毒物質データの: 123-43-3(Hazardous Substances Data)