Diniconazole

HCID 6436605
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기본 정보

CAS
70217-36-6
표준 SMILES
CC(C)(C)C(O)/C(=C\c1ccc(Cl)cc1Cl)n1cncn1
InChIKey
FBOUIAKEJMZPQG-AWNIVKPZSA-N
분자식
C15H17Cl2N3O
평균 분자량
326.2 g/mol
단동위원소 질량
325.0748676

이름 및 식별자

우선 이름
Diniconazole
IUPAC
(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
영어명
Diniconazole
분자식
C15H17Cl2N3O
분자량
326.22

이름 및 동의어

Diniconazole83657-24-3Ortho spotlessDTXSID2040363XE 779X82HVO1N83(E)-1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-olDTXCID0020363(e)-(rs)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pent-1-en-3-ol1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-ol1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-olRefChem:588668
이름 더 보기
DINICONAZOLenazoleDINITXF 779ACIDANsumi-8ALYANSxe-779lDINIZOL
CHEBI:81913Diniconazole [ISO]70217-36-6S-3308L(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol76714-88-0MFCD01678675Rac-diniconazole

데이터베이스 식별자

CAS
70217-36-6、83657-24-3
PubChem CID
6436605
DTXSID
DTXSID2040363
ChEMBL
CHEMBL135386、CHEMBL551746
ChEBI
CHEBI:83909
UNII
X82HVO1N83
EC Number
617-485-5、688-588-0
Nikkaji
J366.952A

물성

구조 계산 물성

XLogP
4.2
극성 표면적
50.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
21

실험 및 물리화학적 성질

Collision Cross Section177.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2040363]；177.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2040363]

물리화학적 성질

녹는점
134 · 134~156℃
끓는 점
501.1 · 501.1±60.0 °C(Predicted)
밀도
1.32 · 1.32
증기압
2.93 x · 2.93 x l0-3 Pa (20 °C)
저장 조건
Inert atmosphere,Room Temperature
용해도
100 · DMSO:100.0(Max Conc. mg/mL);306.54(Max Conc. mM)Water:0.67(Max Conc. mg/mL);2.05(Max Conc. mM)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Warning

유해성 정보

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Acute Tox. 4 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

Acute toxicity - category 4；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1

Acute Tox. 4 *；Aquatic Acute 1；Aquatic Chronic 1

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
WGK 1
독성
LD50 in male, female rats (mg/kg): 639, 474 orally; >5000, >5000 dermally (Takano)
기존화학 물질
KE-10185
Hazard Classifications
Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
스토리지 클래스
11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.
응용 분야 · 1건

용도Diniconazole is used to control leaf and ear diseases in cereals, powdery mildew in vines, rust and black spot in roses, leaf spot in peanuts, Sigatoka disease in bananas, and Uredinales in coffee. It is also used on fruit, vegetables and ornamentals.

상·하류 제품 정보

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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