N-메틸-2,2,2-트리플루오로아세트아미드

N-메틸-2,2,2-트리플루오로아세트아미드 · N-METHYLTRIFLUOROACETAMIDE · 2,2,2-TRIFLUORO-N-METHYLACETAMIDE · TIMTEC-BB SBB008211 · N-Methyl-2,2,2-trifl · Methyltrifluoroacetamide · N-Methyltrifluoroacetamide>N-Methyltrifluoroacetamide 98% · N-Methyltrifluoroacetamide,98%

https://huagongshe.com/ko/chemical/69948

식별자 및 물리적 특성

CAS No.	815-06-5
분자식	C3H4F3NO
평균 분자량	127.07 g/mol
단동위원소 질량	127.02449824 g/mol
SMILES	CNC(=O)C(F)(F)F
InChIKey	IQNHBUQSOSYAJU-UHFFFAOYSA-N
PubChem CID	69948
EC No.	212-417-7
DTXSID	DTXSID6061153
현지명	N-메틸-2,2,2-트리플루오로아세트아미드

화학 및 물리적 성질

XLogP	0.7
극성 표면적	29.1
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	97
녹는점	49-51 °C(lit.)
끓는 점	156-157 °C(lit.)
밀도	1.3215 (estimate)
인화점	165 °F
저장 조건	Inert atmosphere,Room Temperature
pKa(산도 계수)	11.54±0.46(Predicted)
물리적 상태	powder to crystal
색상	흰색에서 거의 흰색
BRN	1703392
InChI	InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKey	IQNHBUQSOSYAJU-UHFFFAOYSA-N
SMILES	C(NC)(=O)C(F)(F)F
NIST	Acetamide, 2,2,2-trifluoro-N-methyl-(815-06-5)
EPA	Acetamide, 2,2,2-trifluoro-N-methyl- (815-06-5)

화학적 성질

WHITE CRYSTALS OR CRYSTALLINE POWDER

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 47 reports by companies from 6 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (95.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 1325 4.1/PG 2
관세 코드	29241990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36-37/39
포장분류	III
위험 등급	6.1(b)Eye Irrit. 2Skin Irrit. 2
F 고인화성물질	3-10-21
위험 참고 사항	Irritant/Hygroscopic
저장 분류	11 - Combustible Solids

용도

일반 설명

The high-resolution proton and fluorine resonance spectra of N-methyltrifluoroacetamide in tetrahydrofuran and acetone was studied.