Pentafluorophenyl Trifluoroacetate

HCID 4327891

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14533-84-7
표준 SMILES: O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F
InChIKey: VCQURUZYYSOUHP-UHFFFAOYSA-N
분자식: C8F8O2
평균 분자량: 280.07 g/mol
단동위원소 질량: 279.977055

이름 및 식별자

우선 이름: Pentafluorophenyl Trifluoroacetate
IUPAC: (2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetate
영어명: Pentafluorophenyl trifluoroacetate
분자식: C8F8O2
분자량: 280.07

이름 및 동의어

Pentafluorophenyl trifluoroacetate14533-84-7DTXSID60401978RefChem:859818DTXCID40352833629-320-4Perfluorophenyl 2,2,2-trifluoroacetateTrifluoroacetic acid pentafluorophenyl ester(2,3,4,5,6-pentafluorophenyl) 2,2,2-trifluoroacetateMFCD00134438C8F8O2pentafluorophenyltrifluoroacetate

이름 더 보기

PFP-O-TFApentafluorophenyl trifloroacetateTFA-OPFPPentafluoropfenyl TrifluoroacetatePentafluorophenylTrifluoroacetate>Pentafluorophenyl trifluoroacetate 98%

Acetic acid, 2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl esterPentafluorphenyl trifluoracetateAcetic acid, trifluoro-, pentafluorophenyl esterAcetic acid,2,2,2-trifluoro-, 2,3,4,5,6-pentafluorophenyl esterSCHEMBL40376pentafluorophenyl trifluoracetatepentafluorphenyl trifluoroacetateCS0054

데이터베이스 식별자

CAS: 14533-84-7
PubChem CID: 4327891
DTXSID: DTXSID60401978
EC Number: 629-320-4
Nikkaji: J1.198.603J

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 10
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 303

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

녹는점: 4 °C · 4°C(lit.)
끓는 점: 122 · 122-123 °C (lit.)
밀도: 1.63 g/mL · 1.63 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.368(lit.)
인화점: 126 °F · 126 °F
저장 조건: 2 · Keep in dark place,Sealed in dry,2-8°C
물리적 상태: 기름
색상: 무색의
Specific Gravity: 1.63 · 1.630
수용성: 122.5 °C，760mmHg，에서 · 122.5°C，760mmHg，에서 물에 용해됩니다.
BRN: 2003848 · 2003848
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8F8O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16
InChIKey: VCQURUZYYSOUHP-UHFFFAOYSA-N
SMILES: C(OC1=C(F)C(F)=C(F)C(F)=C1F)(=O)C(F)(F)F

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 3272 3/PG 3
HS 번호: 29159000
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 16-26-36
포장분류: III
위험 등급: 3.2
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도Pentafluorophenyl trifluoroacetate can be used:In the esterification of 2′-carboxyrhodamine dye to form pentafluorophenyl ester as a single isomer.As an acylating agent and a coupling agent for the peptide-type coupling of N-substituted glycine oligomers.In the synthesis of pentafluorophenyl thiophene-3-acetate (PFPTA) by reacting with 3-thiopheneacetic acid.