5-Chloro-1-indanone

HCID 142599CAS 42348-86-7

기본 정보

표준 SMILES
O=C1CCc2cc(Cl)ccc21
InChIKey
MEDSHTHCZIOVPU-UHFFFAOYSA-N
분자식
C9H7ClO
평균 분자량
166.6 g/mol
단동위원소 질량
166.01854252

이름 및 식별자

우선 이름
5-Chloro-1-indanone
IUPAC
5-chloro-2,3-dihydroinden-1-one
영어명
5-Chloro-1-indanone
분자식
C9H7ClO
분자량
166.6

이름 및 동의어

5-Chloro-1-indanone42348-86-75-Chloro-2,3-dihydro-1H-inden-1-one5-Chloro-indan-1-one1H-Inden-1-one, 5-chloro-2,3-dihydro-1-Indanone, 5-chloro-DTXSID1074624RefChem:102273DTXCID0040094610-016-5MEDSHTHCZIOVPU-UHFFFAOYSA-N5-chloro-2,3-dihydroinden-1-one
이름 더 보기
Chloro-1-indan5-Chloro Indanone5- chlorineindone5-Chloro-1-indanone,99%5-Chloro-1-indanone,98%5-Chloro-1-indanone >
5-chloroindan-1-oneMFCD000414565-chloroindanone5-chloroindone5-Chloro- 1-indanone; 5-Chloro-1-indanone; 5-Chloro-2,3-dihydro-1H-inden-1-one; 5-Chloro-2,3-dihydroinden-1-oneA1BDASCHEMBL286035-Chloro-1-indanone, 99%

데이터베이스 식별자

CAS
42348-86-7
PubChem CID
142599
DTXSID
DTXSID1074624
EC Number
610-016-5
Nikkaji
J2.272.074K

물성

구조 계산 물성

XLogP
2.3
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

Physical DescriptionCBI

물리화학적 성질

녹는점
94 · 94-98 °C (lit.)
끓는 점
124 · 124-125 °C (3 mmHg)
밀도
1.1466 · 1.1466 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
인화점
124 · 124-125°C/3mm
저장 조건
Keep in dark place,Sealed in dry,Room Temperature

화학적 성질

White Crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (83.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 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

1H-Inden-1-one, 5-chloro-2,3-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Inden-1-one, 5-chloro-2,3-dihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesAcute Tox. 4 (83.7%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29339900
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36

화학 및 산업

용도 및 제조

U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

1H-Inden-1-one, 5-chloro-2,3-dihydro-: ACTIVE

응용 분야 · 2건

용도5-Chloro-1-indanone is the important intermediate of du pont company's new varieties of pesticides indoxacarb (popular name: indoxacarb), is also a kind of important medicine intermediate simultaneously. 5-Chloro-1-indanone is a 5-halo-1-indanone. It participates in the Irie′s synthesis of substituted pyridines. 5-Chloro-1-indanone has a stable triclinic crystal structure and has intermolecular forces of C-H...O, C-H...Π, CO...Cl and Π...Π types. 5-Chloro-1-indanone may be used as starting reagent for the preparation of 5-chloro-2-methoxycarbonyl-1-indanone. It may be used for the preparation of important biomedical compounds such as anticonvulsants, anticholinergics and diarylsulfonylureas, having potential activity against solid tumors.

일반 설명5-Chloro-1-indanone is a 5-halo-1-indanone. It participates in the Irie′s synthesis of substituted pyridines. 5-Chloro-1-indanone has a stable triclinic crystal structure and has intermolecular forces of C-H...O, C-H...Π, CO...Cl and Π...Π types.

제조 방법 · 1건

3-chlorobenzaldehyde as raw material first reacts with propionic acid to prepare 3-chloro-phenylpropionic acid, which is then subjected to Friedel-Crafts acylation reaction to prepare 5-chloro-1-indanone. Organic solvents of formic acid diethylamine participate in the first step, and the reaction temperature is 20-150℃. An organic solvent of methylene chloride and a catalyst of zinc chloride participate in the second step, and the reaction temperature is -10 to 80 ℃. Synthetic method of 5-chloro-1-indanone

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

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