삼불화아세트산수화물

Trifluoroacetohydrazide

HCID 229753CAS 1538-08-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NNC(=O)C(F)(F)F
InChIKey: OFUCCBIWEUKISP-UHFFFAOYSA-N
분자식: C2H3F3N2O
평균 분자량: 128.05 g/mol
단동위원소 질량: 128.01974738

이름 및 식별자

우선 이름: Trifluoroacetohydrazide
IUPAC: 2,2,2-trifluoroacetohydrazide
현지명: 삼불화아세트산수화물
영어명: Trifluoroacetic acid hydrazide
분자식: C2H3F3N2O
분자량: 128.05

이름 및 동의어

TRIFLUOROACETOHYDRAZIDERefChem:899578671-964-32,2,2-trifluoroacetohydrazide1538-08-5Trifluoroacetic acid hydrazideMFCD00221440C2H3F3N2ONSC-23683TRIFLUOROACETYL HYDRAZIDEAcetic acid, trifluoro-, hydrazideTrifluoroaceticaceticacid hydrazide

이름 더 보기

삼불화아세트산수화물uoroacetohydrazideTrifluoroacetyl hydrazineHydrazine trifluoroacetate46 Tri-FluoroacetylhydrazineTrifluoroacetohydrazide, tech1,3-bis(4-nitrophenyl)-2-propanone2,2,2-Trifluoroacetohydrazide 95%

NSC23683trifluoroacethydrazideCF3CONHNH2(Trifluoroacetyl)hydrazineY6KG7L6PLCN-(trifluoroacetyl)hydrazineSCHEMBL181090trifluoro acetic acid hydrazide

데이터베이스 식별자

CAS: 1538-08-5
PubChem CID: 229753
DTXSID: DTXSID10281969
UNII: Y6KG7L6PLC
EC Number: 671-964-3
Nikkaji: J1.903.496H

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 97.9

물리화학적 성질

녹는점: 111 °C · 111 °C
끓는 점: 84 · 84-86 °C(Press: 14 Torr)
밀도: 1.462 · 1.462±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 고체
산도 계수 (pKa): 9.47 · 9.47±0.20(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

HS 번호: 2916199590
risk_code: 36/37/38
safety_code: 26-36/37/39

화학 및 산업

응용 분야

용도Trifluoroacetic acid hydrazide is used in chemical synthesis applications. It is used in the preparation of sitagliptin intermediates, pyridazinone derivatives and fluoronitrocarboxylic acid hydrazides, among other organic compounds.