N-(하이드록시메틸)트리플루오로아세트아미드

2,2,2-Trifluoro-N-(hydroxymethyl)acetamide

HCID 3084931

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 50667-69-1
표준 SMILES: O=C(NCO)C(F)(F)F
InChIKey: URUWXKFAEKTWKG-UHFFFAOYSA-N
분자식: C3H4F3NO2
평균 분자량: 143.06 g/mol
단동위원소 질량: 143.01941303

개요

N-(hydroxymethyl)trifluoroacetamide is a carboximidic acid.

이름 및 식별자

우선 이름: 2,2,2-Trifluoro-N-(hydroxymethyl)acetamide
IUPAC: 2,2,2-trifluoro-N-(hydroxymethyl)acetamide
현지명: N-(하이드록시메틸)트리플루오로아세트아미드
영어명: N-(Hydroxymethyl)trifluoroacetamide
분자식: C3H4F3NO2
분자량: 143.06

이름 및 동의어

50667-69-12,2,2-Trifluoro-N-(hydroxymethyl)acetamideEINECS 256-698-4DTXSID90198703RefChem:440503DTXCID10121194256-698-4N-(HYDROXYMETHYL)TRIFLUOROACETAMIDEAcetamide, 2,2,2-trifluoro-N-(hydroxymethyl)-MFCD00014416N-HydroxymethyltrifluoroacetamideN-(Hydroxymethyl)-2,2,2-trifluoroacetamide

이름 더 보기

N-(하이드록시메틸)트리플루오로아세트아미드TrifluoroacetamidomethanolN-(HYDROXYMETHYL)TRIFLUOROACETA2,2,2-Trifluoro-N-(hydroxymethyl)N-(Hydroxymethyl)trifluoroacetamide, 98+%N-(Hydroxymethyl)-2,2,2-trifluoroacetamide, (Trifluoroacetamido)methanol

SCHEMBL865925SCHEMBL865926N-Hydroxymethyl fluoroacetamideF49GM8FQ29N-hydroxymethyl trifluoroacetamideCHEBI:192837N-(hydroxymethyl)-trifluoroacetamideN-hydroxy methyl trifluoro acetamide

데이터베이스 식별자

CAS: 50667-69-1
PubChem CID: 3084931
DTXSID: DTXSID90198703
ChEBI: CHEBI:192837
UNII: F49GM8FQ29
EC Number: 256-698-4
Nikkaji: J261.587H

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 49.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 110

물리화학적 성질

녹는점: 102 · 102-103°C
끓는 점: 237 ℃ · 237℃
밀도: 1.461 · 1.461
인화점: 97 ℃ · 97℃
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 9.79 · 9.79±0.46(Predicted)
색상: 흰색에서 황백색까지
BRN: 1859914 · 1859914
InChI: InChI=1S/C3H4F3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)
InChIKey: URUWXKFAEKTWKG-UHFFFAOYSA-N
SMILES: C(NCO)(=O)C(F)(F)F

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2924190090
risk_code: 36/37/38
safety_code: 26-36

화학 및 산업

응용 분야

용도2,2,2-Trifluoro-N-(hydroxymethyl)acetamide is used in a process for the preparation of chlorooxotrifluoromethylphenyldihydrotriazolylbenzylpivalamide polymorphs for use as mPGES-1 inhibitors.