CAS 51805-45-9 Tris(2-carboxyethyl)phosphine hydrochloride (HCID 2734570)

이름 및 식별자

우선 이름: Tris(2-carboxyethyl)phosphine hydrochloride
IUPAC: 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochloride
영어명: Tris(2-carboxyethyl)phosphine hydrochloride
분자식: C9H15O6P.ClH
분자량: 286.65

이름 및 동의어

51805-45-9Tris(2-carboxyethyl)phosphine hydrochlorideTCEP HydrochlorideTCEP HClTcep hydrochloride [MI]UNII-H49AAM893KH49AAM893KDTXSID10370367Propanoic acid, 3,3',3''-phosphinylidynetris-, hydrochloride (1:1)RefChem:192079DTXCID80321402629-759-1

이름 더 보기

TRI(2-CARBOXYETHYL)PHOSPHINE HYDROCHLORIDETCEP-HCITCEP SolutionTCEP, HYDROCHLORIDETris(2-carboxyethyl)phosphine hydrochloride, 98% 1GRTCEP*HCL0.5M TCEP500 MM TCEP

3,3',3''-Phosphinetriyltripropanoic acid hydrochlorideMFCD00145469TCEP (hydrochloride)3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hydrochlorideC9H16ClO6PTris(carboxyethyl)phosphine hydrochloridetris-(2-carboxyethyl)phosphine hydrochloride3-[bis(2-carboxyethyl)phosphanyl]propanoic acid hydrochloride

데이터베이스 식별자

CAS: 51805-45-9
PubChem CID: 2734570
DTXSID: DTXSID10370367
ChEMBL: CHEMBL2047686
UNII: H49AAM893K
EC Number: 629-759-1

물성

구조 계산 물성

극성 표면적: 112 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 17
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 177 °C · 177 °C
밀도: 1.041 g/mL · 1.041 g/mL at 25 °C
굴절률: 20 · n20/D 1.367
저장 조건: 2 · 2-8°C
용해도: 2 O: · H2O: 50 mg/mL
물리적 상태: 가루
산도 계수 (pKa): 7.66 · 7.66(at 25℃)
색상: 하얀색
수소이온지수(pH): 7 · 7.0(aqueous solution; pH was adjusted with ammonium hydroxide)
수용성: 물과 메탄올에 용해됩니다.
Merck: 14 · 14,9085
BRN: 3724376 · 3724376
안정성: 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. 증류수 용액은 -20°C에서 최대 1개월 동안 보관할 수 있습니다.
InChI: 1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H
InChIKey: PBVAJRFEEOIAGW-UHFFFAOYSA-N
SMILES: Cl[H].OC(=O)CCP(CCC(O)=O)CCC(O)=O

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (98.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (15.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 226 reports by companies from 8 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

Hazard Classes and CategoriesSkin Corr. 1A (98.2%)；Eye Dam. 1 (15.9%)

안전 데이터

wgk: 2
tsca: No
ridadr: UN 3261 8/PG 2
HS 번호: 29319090
risk_code: 36/38-36/37/38-34
hazard_code: C,Xi
safety_code: 26-37/39-36/37/39-27-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도TCEP (Tris(2-carboxyethyl)phosphine hydrochloride) is an alternative which is not pungent, more stable and works even at low pH. It is more selective, i.e. do not reduce metals and buried disulfides.

일반 설명Tris (2-carboxyethyl) phosphine (TCEP) is very effective in cleaving disulfide bonds in aqueous solution. It dissolves in water and is odorless, unlike other trialkylphosphines (tributylphosphine). It is also less toxic than 2-mercaptoethanol. These advantages make it better than the other reducing agents.

제조 방법 · 1건

The preparation of Tris(2-carboxyethyl)phosphine hydrochloride is as follows:Trimethyl 3,3 ', 3 "-phosphine triphenylpropionate (92.5g, 0.28mol) prepared as described above was added to a 250 ml reaction flask under mechanical stirring conditions and a molar ratio of 12mol/(120ml, 1.44mol), the mixture was heated to 90°C, the solid gradually dissolved, continue to heat the reaction 4h, stirring and cooling with ice water, precipitation of white solid, filter, filter cake with distilled water to get white (2-carboxyethyl) phosphine hydrochloride, dried, weighing 61.3g, yield 82.4%