4-Nitrophenyl trifluoroacetate

HCID 69569CAS 658-78-6

기본 정보

표준 SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIKey: JFOIBTLTZWOAIC-UHFFFAOYSA-N
분자식: C8H4F3NO4
평균 분자량: 235.12 g/mol
단동위원소 질량: 235.00924227

이름 및 식별자

우선 이름: 4-Nitrophenyl trifluoroacetate
IUPAC: (4-nitrophenyl) 2,2,2-trifluoroacetate
영어명: 4-NITROPHENYL TRIFLUOROACETATE
분자식: C8H4F3NO4
분자량: 235.12

이름 및 동의어

4-Nitrophenyl trifluoroacetateAcetic acid, trifluoro-, 4-nitrophenyl esterTrifluoroacetic Acid 4-Nitrophenyl EsterH23CZQ62HCEINECS 211-524-6NSC 93909NSC-93909Acetic acid, 2,2,2-trifluoro-, 4-nitrophenyl esterDTXSID7060960Trifluoroacetic acid, 4-nitrophenyl esterRefChem:100120DTXCID4044660

이름 더 보기

TFAONPTrifluoro-AcSAKAKI BARA'S REAGENT4-Nitrophenyltrifluoracetatp-Nitrophenyl trifuoroacetateNITROPHENYLTRIFLUOROACETATE(4-)4-Nitrophenyltrifluoroacetate99%4-Nitrophenyl trifluoroacetate 99%

211-524-6JFOIBTLTZWOAIC-UHFFFAOYSA-N658-78-64-nitrophenyl 2,2,2-trifluoroacetatep-Nitrophenyl trifluoroacetate(4-nitrophenyl) 2,2,2-trifluoroacetateTrifluoroacetic acid p-nitrophenyl esterMFCD00007324

데이터베이스 식별자

CAS: 658-78-6
PubChem CID: 69569
DTXSID: DTXSID7060960
UNII: H23CZQ62HC
EC Number: 211-524-6
Nikkaji: J205.952E

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 72.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 7
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 35 · 35-39 °C (lit.)
끓는 점: 120 °C/12 · 120 °C/12 mmHg (lit.)
밀도: 1.5675 · 1.5675 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
BRN: 658785 · 658785
주요 응용: 펩타이드 합성
InChI: InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
InChIKey: JFOIBTLTZWOAIC-UHFFFAOYSA-N
SMILES: C(OC1=CC=C([N+]([O-])=O)C=C1)(=O)C(F)(F)F
EPA: 4 · Acetic acid, trifluoro-, 4-nitrophenyl ester (658-78-6)

화학적 성질

Beige crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.