(+-)-Mercaptosuccinic acid (HCID 6268)

개요

Thiomalic acid is a C4-dicarboxylic acid. It is functionally related to a succinic acid. It is a conjugate acid of a thiomalate(1-).

이름 및 식별자

우선 이름: (+-)-Mercaptosuccinic acid
IUPAC: 2-sulfanylbutanedioic acid
현지명: 티오말 산
영어명: Mercaptosuccinic acid
분자식: C4H6O4S
분자량: 150.15

이름 및 동의어

Mercaptosuccinic acidThiomalic acid70-49-52-Mercaptosuccinic acid2-Thiomalic acidMonomercaptosuccinic acidMercaptosuccinateNSC-730294239W5L4HCHEBI:38705DTXSID20861615(+-)-mercaptosuccinic acid

이름 더 보기

티오말산2-티오말산모노멜캅토숙신산알파-멜캅토숙신산티오말산mercapto-Butanedioicacidusafm-2USAF M-2hiomalicaciusafek-p-6297USAF ek-p-62972-thiomalicacid

RefChem:483750DTXCID50810515200-736-4211-423-72-sulfanylbutanedioic acidButanedioic acid, mercapto-DL-Mercaptosuccinic acidMalic acid, 2-thio-

데이터베이스 식별자

CAS: 70-49-5
PubChem CID: 6268
DTXSID: DTXSID20861615
ChEMBL: CHEMBL4303414
ChEBI: CHEBI:38705
UNII: 94239W5L4H
EC Number: 200-736-4
Nikkaji: J4.877A

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionWhite solid with a sulfudic odor; [Merck Index] Light brown solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 155 · 155-157 °C(lit.)
끓는 점: 241.69 °C · 241.69°C (rough estimate)
밀도: 1.352 · 1.352 (estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 30 °C · Store below +30°C.
용해도: 500 g/L · 500g/L
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.68 · pKa 4.68±0.04(H2O t = 20.0±0.05 I = 0.15) (Uncertain)
색상: 흰색에서 거의 흰색
수용성: 150 g/L · 150g/L(20℃)
Merck: 14 · 14,9343
BRN: 1099858 · 1099858
InChI: 1S/C4H6O4S/c5-3(6)1-2(9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)
InChIKey: NJRXVEJTAYWCQJ-UHFFFAOYSA-N
SMILES: OC(=O)CC(S)C(O)=O
NIST: 2 · 2-Sulfanylsuccinic acid(70-49-5)
EPA: Butanedioic acid, mercapto- (70-49-5)

화학적 성질

white to almost white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 4.5% (6 of 132) of reports.

Warning

H302 (92.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 132 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Butanedioic acid, mercapto-

Mercaptosuccinic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 200 mg/kg; [RTECS] A skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (92.4%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: WM8225000
ridadr: 1759
HS 번호: 29309070
risk_code: 22-36/37/38-34-20/21/22
hazard_code: Xn,C
safety_code: 26-36-36/37/39-45-27
포장분류: III
위험 등급: 8
기존화학 물질: KE-33793
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationButanedioic acid, 2-mercapto-: ACTIVE

응용 분야 · 2건

용도Mercaptosuccinic acid is used in the preparation of mercaptosuccinic acid diethyl ester by reaction with ethanol. It is also used as a brightening agent in metal plating. Further, it serves as an intermediate for the synthesis of corrosion inhibitors, soil fumigants, active pharmaceutical ingredients and electroplating agents.

일반 설명Mercaptosuccinic acid(MSA) is a chiral multifunctional intermediate material used as a stabilizing and capping agent in the synthesis of biologically active sulfurs.