5-클로로-2-펜타논

5-클로로-2-펜타논 · 5-Chloropentan-2-one · oro-2-pentanone · Chloro-2-pentan · 5-chloro -2-ketone · 5-chloro-2-pentanon · Chloropentanonetech · -Chloro-2-pentanone

https://huagongshe.com/ko/chemical/79993

식별자 및 물리적 특성

CAS No.	5891-21-4
분자식	C5H9ClO
평균 분자량	120.58 g/mol
단동위원소 질량	120.03419259 g/mol
SMILES	CC(=O)CCCCl
InChIKey	XVRIEWDDMODMGA-UHFFFAOYSA-N
PubChem CID	79993
EC No.	227-565-8
DTXSID	DTXSID9064053
현지명	5-클로로-2-펜타논

화학 및 물리적 성질

XLogP	0.8
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	3
무거운 원자 수	7
형식 전하	0
복잡도	61.1
SpringerMaterials Properties	Optical coefficient
끓는 점	71-72 °C/20 mmHg (lit.)
밀도	1.057 g/mL at 25 °C (lit.)
굴절률	n20/D 1.438(lit.)
인화점	96 °F
저장 조건	Inert atmosphere,2-8°C
용해도	클로로포름과 메탄올에 용해됩니다.
물리적 상태	액체
비중	1.057
색상	갈색에서 검정색으로
BRN	1098490
안정성	휘발성 물질
InChI	InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey	XVRIEWDDMODMGA-UHFFFAOYSA-N
SMILES	CC(=O)CCCCl
NIST	2-Pentanone, 5-chloro-(5891-21-4)
EPA	2-Pentanone, 5-chloro- (5891-21-4)

화학적 성질

Brown to black liquid

안전 및 규제

GHS 분류	WarningH226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/173855-Chloro-2-pentanone: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (92.9%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	SA8143500
운송 번호(UN)	UN 1224 3/PG 3
관세 코드	29147090
위험 문구(R)	36/37/38-22-10
위험 표시	Xn,F
안전 문구(S)	23-24/25-37/39-26-16
포장분류	III
위험 등급	3Acute Tox. 4 Oral
F 고인화성물질	8-10
저장 분류	10 - Combustible liquids

용도

개요

5-Chloro-2-pentanone (5C2P) is an important organic reagent used as a pharmaceutical intermediate for the preparation of therapeutic anti-COVID-19 drugs. 5C2P is also used as a raw material for the synthesis of octamethol and related compounds. In chemical reactions, 5C2P can be cyclised with hydrazine. In conclusion, 5C2P and its derivatives have a wide range of applications in the pharmaceutical and agrochemical industries.

용도

5-Chloro-2-pentanone used in the preparation of destructible surfactants.