CAS 66346-01-8 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone (HCID 94617)

기본 정보

CAS: 66346-01-8
표준 SMILES: CC(C)(C)C(=O)CCc1ccc(Cl)cc1
InChIKey: ILQGIJDYSLHIOX-UHFFFAOYSA-N
분자식: C13H17ClO
평균 분자량: 224.72 g/mol
단동위원소 질량: 224.09679284

이름 및 식별자

우선 이름: 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
IUPAC: 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one
현지명: 1-(4-클로로페닐)-4,4-다이메틸펜탄-3-온
영어명: 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
분자식: C13H17ClO
분자량: 224.73

이름 및 동의어

1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-83-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-oneDTXSID7028300UNII-E3F88HO81QE3F88HO81QDTXCID408300RefChem:74460613-923-41-(4-chlorophenyl)-4,4-dimethylpentan-3-one1-(4-Chloro-phenyl)-4,4-dimethyl-pentan-3-one

이름 더 보기

1-(4-클로로페닐)-4,4-다이메틸펜탄-3-온Pentazolol pentane1-(4-Chlorophenyl)-44-diMethyl-3-pentanonetebuconazole impurity 11-(4-chlorphenyl)-4,4-dimethylpentan-3-on1-(4-chlorophenyl)-4,4-dimethyl-3-pentanon

MFCD002707714-Chlorobenzylpinacolonehwg1608-alkylketon4,4-Dimethyl-1-(p-chlorophenyl)-3-pentanoneSCHEMBL454778CHEMBL31838101-(4-Chlorophenyl)-4,4-dimethyTox21_301988

데이터베이스 식별자

CAS: 66346-01-8
PubChem CID: 94617
DTXSID: DTXSID7028300
ChEMBL: CHEMBL3183810
UNII: E3F88HO81Q
EC Number: 613-923-4
Nikkaji: J467.936I

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 209

물리화학적 성질

끓는 점: 297.4 · 297.4±15.0 °C(Predicted)
밀도: 1.05 · 1.050±0.06 g/cm3(Predicted)
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
Henry's Law Constant: 1.1 · 1.1×100 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: InChI=1S/C13H17ClO/c1-13(2,3)12(15)9-6-10-4-7-11(14)8-5-10/h4-5,7-8H,6,9H2,1-3H3
InChIKey: ILQGIJDYSLHIOX-UHFFFAOYSA-N
SMILES: C(C1=CC=C(Cl)C=C1)CC(=O)C(C)(C)C
EPA: 3 · 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl- (66346-01-8)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (56.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 65 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (56.9%)

안전 데이터

tsca: TSCA listed
기존화학 물질: 2015-3-6322

화학 및 산업

용도 및 제조

General Manufacturing Information3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-: ACTIVE

응용 분야 · 1건

용도1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone is a versatile organic compound. It is used both as a solvent and in the manufacture of certain insecticides and herbicides. It is also used in biological research, and there are current reports on its ability to inhibit the growth of specific bacteria, fungi and viruses, as well as to reduce the toxicity of specific drugs. It is also considered an antioxidant, neutralising reactive oxygen species and reducing oxidative stress.

공급사100 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

山东瑞博恩新材料科技有限公司15064961989 · [email protected]

Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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