Azaconazole

HCID 43233
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
60207-31-0
Standard SMILES
Clc1ccc(C2(Cn3cncn3)OCCO2)c(Cl)c1
InChIKey
AKNQMEBLVAMSNZ-UHFFFAOYSA-N
Molecular formula
C12H11Cl2N3O2
Average molar mass
300.14 g/mol
Monoisotopic mass
299.022832

Names & identifiers

Preferred name
Azaconazole
IUPAC
1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
English name
Azaconazole
Molecular formula
C12H11Cl2N3O2
Molecular weight
300.14

Names & synonyms

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)-
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
49.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
19

Experimental & physicochemical properties

Collision Cross Section · 3 items

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+]

Physicochemical properties

Melting point
109.9 ° · 109.9°
Boiling point
460.7 · 460.7±55.0 °C(Predicted)
Density
1.51 · 1.51±0.1 g/cm3(Predicted)
vapor pressure
8.6 x · 8.6 x l0-6 Pa (20 °C)
storage temp.
0 · 0-6°C
Water Solubility
300 mg · 300 mg l-1 (20 °C)

Safety & regulation

GHS classification

GHS Classification · 6 items

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

Hazard information

Regulatory Information · 2 items

2002/2076

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

Other Safety Information · 1 item

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 · 3 items

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

Regulatory information

Regulatory Information · 2 items

2002/2076

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

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
1
rtecs
XZ4605000
hs_code
29349990
risk_code
22
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Pharmaceuticals

Fungicides

Applications · 3 items

DescriptionAzaconazole is a sterol biosynthesis inhibitor with fungicidal action. It is moderately soluble in water, relatively volatile and may be persistent in aquatic systems. Azaconazole is moderately toxic to mammals but is not expected to bioaccumulate. It is moderately toxic to birds, fish and aquatic invertebrates.

UsesAzaconazole 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.

UsesFungicide for cultivation on wood; preservative for composite wood products.

Upstream & downstream products

Suppliers45 total

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]
Additional notes · 1 item

DefinitionChEBI: 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.

Related reactions

3 records
New reaction record

Compound notes

Loading…