N-Trifluoroacetylprolyl chloride

N-trifluoroacetylprolyl chloride · N-TRIFLUOROACETYL-L-PROLYL CHLORIDE · (S)-(-)-N-(TRIFLUOROACETYL)PROLYL CHLORIDE · 1-(Trifluoroacetyl)pyrrolidine-2-carbonyl Chloride · (s)-(-)-n-(trifluoroacetyl)prolyl chloride solution · (S)-(?)-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl solution · S(-)-N-(TRIFLUOROACETYL)PROLYL CHLORIDE SOL. 0.1M IN CH2CL2 · (S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl chloride

https://huagongshe.com/ko/chemical/3082449

식별자 및 물리적 특성

CAS No.	36724-68-2
분자식	C7H7ClF3NO2
평균 분자량	229.58 g/mol
단동위원소 질량	229.0117408 g/mol
SMILES	O=C(Cl)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIKey	NUOYJPPISCCYDH-BYPYZUCNSA-N
PubChem CID	3082449
EC No.	624-452-9
DTXSID	DTXSID90190186

화학 및 물리적 성질

XLogP	1.4
극성 표면적	37.4
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	1
무거운 원자 수	14
형식 전하	0
복잡도	266
끓는 점	306.2±42.0 °C(Predicted)
밀도	1.308 g/mL at 25 °C
굴절률	n20/D 1.424
저장 조건	2-8°C
pKa(산도 계수)	-4.06±0.40(Predicted)
BRN	480791
InChI	1S/C7H7ClF3NO2/c8-5(13)4-2-1-3-12(4)6(14)7(9,10)11/h4H,1-3H2/t4-/m0/s1
InChIKey	NUOYJPPISCCYDH-BYPYZUCNSA-N
SMILES	FC(F)(F)C(=O)N1CCC[C@H]1C(Cl)=O

안전 및 규제

GHS 분류	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)
수질 위해 등급(WGK)	2
운송 번호(UN)	UN 1593 6.1/PG 3
위험 문구(R)	40-52-67-36/37/38
위험 표시	Xn
안전 문구(S)	23-24/25-36/37-26
포장분류	III
위험 등급	8Carc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
F 고인화성물질	10-21
저장 분류	6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects

용도

(S)-()-N-(Trifluoroacetyl)pyrrolidine-2-carbonyl chloride can be used as a chiral derivatization reagent:In the chiral separation of psychoactive, cathinone- and amphetamine-related drugsusing GC-MS technique.In the estimation of cathinone related drug enantiomers in biological samples like urine and plasma using GC-MS technique.