Azaconazole

HCID 43233CAS 60207-31-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1
InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N
분자식
C12H11Cl2N3O2
평균 분자량
300.14 g/mol
단동위원소 질량
299.022832

이름 및 식별자

우선 이름
Azaconazole
IUPAC
1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
영어명
Azaconazole
분자식
C12H11Cl2N3O2
분자량
300.14

이름 및 동의어

AZACONAZOLE60207-31-0AzaconazolAzaconazolum1-((2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazoleDTXSID3041613R-2864445683D94EUR-28,644DTXCID1021613CHEBI:818981H-1,2,4-Triazole, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-
이름 더 보기
RODEWODAids108350azoconozoleSAFETRAY SLAids-108350Azaconazol, Vetranal
1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1-[[2-(2,4-Dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole1-{[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazoleRefChem:560433262-102-3MaduroxAzoconazole1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

데이터베이스 식별자

CAS
60207-31-0
PubChem CID
43233
DTXSID
DTXSID3041613
ChEMBL
CHEMBL261627
ChEBI
CHEBI:81898
UNII
45683D94EU
EC Number
262-102-3
Nikkaji
J17.947G

물성

구조 계산 물성

XLogP
2.3
극성 표면적
49.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
19

실험 및 물리화학적 성질

Collision Cross Section · 3건

165.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041613]；166.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3041613]

171.64 Ų [M+HCOO]-；162.88 Ų [M+H]+

160.93 Ų [M+H]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]

물리화학적 성질

녹는점
109.9 ° · 109.9°
끓는 점
460.7 · 460.7±55.0 °C(Predicted)
밀도
1.51 · 1.51±0.1 g/cm3(Predicted)
증기압
8.6 x · 8.6 x l0-6 Pa (20 °C)
저장 조건
0 · 0-6°C
수용성
300 mg · 300mg l-1(20°C)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Regulatory Information · 2건

2002/2076

Azaconazole: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 1건

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

Hazard Classes and Categories · 3건

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

규제 정보

Regulatory Information · 2건

2002/2076

Azaconazole: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
rtecs
XZ4605000
HS 번호
29349990
risk_code
22
hazard_code
Xn
safety_code
46

화학 및 산업

용도 및 제조

Use Classification · 2건

Pharmaceuticals

Fungicides

응용 분야

용도Azaconazole is particularly active against wood-destroying and sapstain fungi. It is also used as a disinfectant in mushroom cultivation and on storage boxes for fruit and vegetables.

상·하류 제품 정보

공급사45 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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. A fungicide used mainly in ornamental crops to control canker and other diseases. Azaconazole is moderately toxic to mammals but is not expected to bioaccumulate. It is moderately toxic to birds, fish and aquatic invertebrates.

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3건
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