기본 정보
- CAS
1119-62-6- 표준 SMILES
O=C(O)CCSSCCC(=O)O- InChIKey
YCLSOMLVSHPPFV-UHFFFAOYSA-N- 분자식
- C6H10O4S2
- 평균 분자량
- 210.3 g/mol
- 단동위원소 질량
- 210.00205114
이름 및 식별자
- 우선 이름
- 3,3'-Dithiodipropionic acid
- IUPAC
- 3-(2-carboxyethyldisulfanyl)propanoic acid
- 현지명
- 3,3′-디시오 디프로피오닉 산
- 영어명
- 3,3'-Dithiodipropionic acid
- 분자식
- C6H10O4S2
- 분자량
- 210.27
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1119-62-6、4775-93-3- PubChem CID
- 95116
- DTXSID
DTXSID0032998- ChEMBL
CHEMBL338743- UNII
- 42OP5B2NI6
- EC Number
- 214-284-0
- Nikkaji
- J32.944D
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 142
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 155 · 155-158 °C(lit.)
- 끓는 점
- 319.8 °C · 319.8°C (rough estimate)
- 밀도
- 1.319 · 1.319 (estimate)
- 굴절률
- 1.522 · 1.5220 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 수용성
- 물에 거의 녹지 않음
- 용해도
- DMSO(적게), 메탄올(약간)에 용해됨
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 3.94 · 3.94±0.10(Predicted)
- 색상
- 하얀색
- BRN
- 1778543 · 1778543
- InChI
- InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
- InChIKey
- YCLSOMLVSHPPFV-UHFFFAOYSA-N
- SMILES
- S(CCC(O)=O)SCCC(O)=O
- EPA
- 3 · Propanoic acid, 3,3'-dithiobis- (1119-62-6)
화학적 성질
white powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (98.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 9 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 Information
Chemical: Propanoic acid, 3,3'-dithiobis-
Propanoic acid, 3,3'-dithiobis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
규제 정보
Regulatory Information
Chemical: Propanoic acid, 3,3'-dithiobis-
Propanoic acid, 3,3'-dithiobis-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1759
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-12732
- F 고인화성물질
- 13
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도Highly reactive species.
일반 설명3,3′-Dithiodipropionic acid forms monolayers on a polycrystalline gold electrode through a self-assembly procedure to form gold 3,3′-dithiodipropionic acid self-assembled monolayer modified electrode. It is the precursor substrate in the synthesis of 3-mercaptopropionic acid-containing polythioesters. It is added as primary carbon supplement in the culture medium of novel betaproteobacterium, strain DPN7.
상·하류 제품 정보
하류 제품
공급사100 곳
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