((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate (HCID 11038641)

이름 및 식별자

우선 이름: ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate
IUPAC: tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium hexafluorophosphate
영어명: (3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate
분자식: C17H27F6N7OP2
분자량: 521.39

이름 및 동의어

156311-83-0PyAOPPYAOP REAGENTC5Z532MU8E[(7-Azabenzotriazol-1-yl)oxy]tris(pyrrolidino)phosphonium hexafluorophosphatePhosphorus(1+), [3-(hydroxy-kappaO)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)Phosphorus(1+), (3-hydroxy-3H-1,2,3-triazolo(4,5-b)pyridinato-O)tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-)((7-Azabenzotriazol-1-yl)oxy)tris(pyrrolidino)phosphonium hexafluorophosphatePHOSPHONIUM, TRI-1-PYRROLIDINYL(3H-1,2,3-TRIAZOLO(4,5-B)PYRIDIN-3-YLOXY)-, HEXAFLUOROPHOSPHATE(1-)PHOSPHORUS(1+), (3-(HYDROXY-.KAPPA.O)-3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINATO)TRI-1-PYRROLIDINYL-, (T-4)-, HEXAFLUOROPHOSPHATE(1-) (1:1)PHOSPHORUS(1+), (3-(HYDROXY-KAPPAO)-3H-1,2,3-TRIAZOLO(4,5-B)PYRIDINATO)TRI-1-PYRROLIDINYL-, (T-4)-, HEXAFLUOROPHOSPHATE(1-) (1:1)Phosphorus(1+), [3-(hydroxy-.kappa.O)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1)

이름 더 보기

(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate 96%PyAOP Novabiochem(7-Azabenzotriazol-1PVP-VACOPOLYMERSERIES(7-AZABENZOTRIAZOLE-1-YLOXY)TRIPYRROLIDI(7-Azabenzotriazol-1-yloxy)tripyrrolidinophospho(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphoni3H-1,2,3-triazolo[4,5-b]pyridine phosphonium derivative

RefChem:390332(7-Azabenzotriazol-1-yloxy)tripyrrolidinophosphonium hexafluorophosphate((3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphateMFCD03703417tripyrrolidin-1-yl(triazolo[4,5-b]pyridin-3-yloxy)phosphanium;hexafluorophosphate(7-azabenzotriazol-1-yloxy)tripyrrolidino-phosphonium hexafluorophosphatehexafluoro-lambda5-phosphanuide; tris(pyrrolidin-1-yl)({3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy})phosphanium

데이터베이스 식별자

CAS: 156311-83-0
PubChem CID: 11038641
DTXSID: DTXSID00935424
UNII: C5Z532MU8E
EC Number: 627-192-4

물성

구조 계산 물성

극성 표면적: 62.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 14
회전 가능 결합 수: 5
무거운 원자 수: 33
형식 전하: 0
복잡도: 502

물리화학적 성질

녹는점: 163 · 163-168 °C(lit.)
저장 조건: -20 °C · -20°C
용해도: 1 % · Soluble in water or 1% acetic acid
물리적 상태: 분말 또는 결정성 분말
색상: 흰색에서 황백색까지
수용성: 물에 용해됩니다.
주요 응용: 펩타이드 합성
InChI: InChI=1S/C17H27N7OP.F6P/c1-2-11-21(10-1)26(22-12-3-4-13-22,23-14-5-6-15-23)25-24-17-16(19-20-24)8-7-9-18-17;1-7(2,3,4,5)6/h7-9H,1-6,10-15H2;/q+1;-1
InChIKey: CBZAHNDHLWAZQC-UHFFFAOYSA-N
SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)ON1N=NC2C=CC=NC1=2
EPA: 1 · Phosphorus(1+), [3-(hydroxy-.kappa.O)-3H-1,2,3-triazolo[4,5-b]pyridinato]tri-1-pyrrolidinyl-, (T-4)-, hexafluorophosphate(1-) (1:1) (156311-83-0)

화학적 성질

(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate is white to off-white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 159 reports by companies from 6 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 Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도(3-Hydroxy-3H-1,2,3-triazolo[4,5-b]pyridinato-O)tri-1-pyrrolidinylphosphonium hexafluorophosphate is used as a coupling reagent in solid phase peptide synthesis. It is preferred over HATU, because it does not side react at the N-terminus of the peptide. Compared to the HOBt derivates, PyAOP (and HOAt in general) are more reactive due to the additional nitrogen.