Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate
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기본 정보
- CAS
56602-33-6- 표준 SMILES
CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F- InChIKey
MGEVGECQZUIPSV-UHFFFAOYSA-N- 분자식
- C12H22F6N6OP2
- 평균 분자량
- 442.28 g/mol
- 단동위원소 질량
- 442.12345231
이름 및 식별자
- 우선 이름
- Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate
- IUPAC
- benzotriazol-1-yloxy-tris(dimethylamino)phosphanium hexafluorophosphate
- 영어명
- 1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate
- 분자식
- C12H22F6N6OP2
- 분자량
- 442.29
이름 및 동의어
Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphateRefChem:89895856602-33-6Bop reagent((1H-Benzo[d][1,2,3]triazol-1-yl)oxy)tris(dimethylamino)phosphonium hexafluorophosphate(V)Castro's ReagentTri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphatebenzotriazol-1-yloxytris(dimethylamino)-phosphonium hexafluorophosphateBOP hexafluorophosphatebenzotriazol-1-yloxytris(dimethylamino)phosphonium hexafluorophosphateBOP (hexafluorophosphate)MFCD00011948
이름 더 보기
BOP1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate [Coupling Reagent for Peptide]cas:56602-33-6BENZOTRIAZOLYL-N-OXYTRIS-(DIMETHYLAMINO-PHOSPHONIUM HEXAFLUOROPHOSPHATE)BOP-reaagentBOP Reagent(BOP)
(Benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphatebenzotriazol-1-yloxy-tris(dimethylamino)phosphanium;hexafluorophosphateBenzotriazole-1-yl-oxy-tris-(dimethylamino)-phosphonium hexafluorophosphate1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate(1H-Benzotriazol-1-yloxy)-tris(dimethylamino)phosphonium hexafluorophosphate(1-)BOP-ReagentCCRIS 2602Castros reagent
데이터베이스 식별자
- CAS
56602-33-6- PubChem CID
- 151348
- DTXSID
DTXSID60205170- UNII
- LBD3UE345W
- EC Number
- 260-279-1
물성
구조 계산 물성보충 중
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 368
물리화학적 성질
- 녹는점
- 130 °C · >130 °C (dec.)(lit.)
- 인화점
- 138 °C · 138°C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 25 mg/mL, · 메탄올: 25mg/mL, 투명
- 물리적 상태
- 가루
- 색상
- 흰색에서 황백색까지
- 수용성
- 메탄올, 아세톤 및 디클로로메탄에 용해됩니다. 물에 불용성.
- BRN
- 4287025 · 4287025
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
- InChIKey
- MGEVGECQZUIPSV-UHFFFAOYSA-N
- SMILES
- [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N(C)C)(N(C)C)(N(C)C)ON1N=NC2C=CC=CC1=2
화학적 성질
white to off-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H228 (81.8%): Flammable solid [Danger Flammable solids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (27.3%): 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]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 13 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 CategoriesFlam. Sol. 1 (81.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (27.3%)；STOT SE 3 (96.4%)
안전 데이터
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- HS 번호
- 29339980
- risk_code
- 37/38-44-36/37/38-11-2
- hazard_code
- Xi,E,F
- safety_code
- 24/25-37/39-36-26-35-36/37/39
- 포장분류
- Ⅱ
- 위험 등급
- 4.1
- F 고인화성물질
- 8-10-21
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Flam. Sol. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 4.1A - Other explosive hazardous materials
화학 및 산업
응용 분야
용도1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate is a peptide coupling reagent. Can be used in the preparation of phenyl esters of amino acids which have been shown to be valuable as blocked derivatives of amino acids in the field of peptide synthesis.
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