2-Pentanone, 5-chloro- (HCID 79993)

이름 및 식별자

우선 이름: 2-Pentanone, 5-chloro-
IUPAC: 5-chloropentan-2-one
현지명: 5-클로로-2-펜타논
영어명: 5-Chloro-2-pentanone
분자식: C5H9ClO
분자량: 120.58

이름 및 동의어

5-Chloro-2-pentanone5-Chloropentan-2-one5891-21-42-Pentanone, 5-chloro-1-Chloro-4-pentanone3-Chloropropyl methyl ketone2-Pentanone 5-chloro-NSC 8427EINECS 227-565-8NSC 60210AI3-08709DTXSID9064053

이름 더 보기

5-클로로-2-펜타논oro-2-pentanoneChloro-2-pentan5-chloro -2-ketone5-chloro-2-pentanonChloropentanonetech-Chloro-2-pentanoneACETYLPROPYL CHLORIDE

XVRIEWDDMODMGA-UHFFFAOYSA-RefChem:477840DTXCID3042502227-565-8InChI=1/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3MFCD000010085-chloro-pentan-2-oneNSC-8427

데이터베이스 식별자

CAS: 5891-21-4
PubChem CID: 79993
DTXSID: DTXSID9064053
UNII: V4XZG82VP5
EC Number: 227-565-8
Nikkaji: J24.223C

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 17.1 Å²
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 71 · 71-72 °C/20 mmHg (lit.)
밀도: 1.057 g/mL · 1.057 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.438(lit.)
인화점: 96 °F · 96 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름과 메탄올에 용해됩니다.
물리적 상태: 액체
Specific Gravity: 1.057 · 1.057
색상: 갈색에서 검정색으로
BRN: 1098490 · 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 · 2-Pentanone, 5-chloro-(5891-21-4)
EPA: 2 · 2-Pentanone, 5-chloro- (5891-21-4)

화학적 성질

Brown to black liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (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.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17385

5-Chloro-2-pentanone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (92.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SA8143500
ridadr: UN 1224 3/PG 3
HS 번호: 29147090
risk_code: 36/37/38-22-10
hazard_code: Xn,F
safety_code: 23-24/25-37/39-26-16
포장분류: III
위험 등급: 3
F 고인화성물질: 8-10
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Pentanone, 5-chloro-: ACTIVE

응용 분야 · 2건

개요5-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.

용도5-Chloro-2-pentanone used in the preparation of destructible surfactants.