Etaconazole

HCID 91673CAS 60207-93-4

기본 정보

표준 SMILES
CCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
InChIKey
DWRKFAJEBUWTQM-UHFFFAOYSA-N
분자식
C14H15Cl2N3O2
평균 분자량
328.2 g/mol
단동위원소 질량
327.0541321

이름 및 식별자

우선 이름
Etaconazole
IUPAC
1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
영어명
ETACONAZOLE
분자식
C14H15Cl2N3O2
분자량
328.19

이름 및 동의어

Etaconazole60207-93-4SonaxCGA 64251DTXSID20419133MT15AE9VGCGA-642511-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole1-((2-(2,4-Dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleCHEBI:4874DTXCID00219131-{[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole
이름 더 보기
C11293vangardcga64251Etaconazole 0C13215000 EtaconazolePicoxystrobin Impurity 9
1H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1-((2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl)methyl)-1,2,4-triazoleRefChem:591345262-107-0630-449-3EtaconazolBenit

데이터베이스 식별자

CAS
60207-93-4
PubChem CID
91673
DTXSID
DTXSID2041913
ChEMBL
CHEMBL270271
ChEBI
CHEBI:4874
UNII
3MT15AE9VG
EC Number
262-107-0
Nikkaji
J18.154D

물성

구조 계산 물성

XLogP
3
극성 표면적
49.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
21

실험 및 물리화학적 성질

Kovats Retention Index · 2건

2210.5;2218.9

2261.6;2253.9

Collision Cross Section · 1건

175.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2041913];174.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2041913];189.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2041913]

물리화학적 성질

녹는점
75 · 75-93℃
끓는 점
470.2 · 470.2±55.0 °C(Predicted)
밀도
1.5146 · 1.5146 (rough estimate)
굴절률
1.607 · 1.6070 (estimate)
저장 조건
-20 °C · -20°C
산도 계수 (pKa)
2.94 · 2.94±0.12(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 9.4% (3 of 32) of reports.

H411 (87.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 3 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 3 of 32 reports by companies.;There are 2 notifications provided by 29 of 32 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Other Safety Information · 1건

IMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-: Human health tier I assessment;IMAP assessments - 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-: Environment tier I assessment

Hazard Classes and CategoriesAquatic Chronic 2 (87.5%)

안전 데이터

wgk
WGK 3
HS 번호
29349990
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

용도Etaconazol is a pesticide and fungicide.

상·하류 제품 정보

공급사18 곳

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
上海毕楷科技有限公司18516304666
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
추가 설명 · 1건

정의ChEBI: A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and ot er crops.

관련 반응

2건

연결된 노트

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