Proquinazid

HCID 11057771CAS 189278-12-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCOc1nc2ccc(I)cc2c(=O)n1CCC
InChIKey
FLVBXVXXXMLMOX-UHFFFAOYSA-N
Molecular formula
C14H17IN2O2
Average molar mass
372.2 g/mol
Monoisotopic mass
372.03347578

Overview

Proquinazid is a member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes. It has a role as an antifungal agrochemical. It is an aromatic ether, an organoiodine compound and a member of quinazolines.

Names & identifiers

Preferred name
Proquinazid
IUPAC
6-iodo-2-propoxy-3-propylquinazolin-4-one
English name
Proquinazid
Molecular formula
C14H17IN2O2
Molecular weight
372.2

Names & synonyms

Proquinazid189278-12-46-iodo-2-propoxy-3-propylquinazolin-4(3H)-one6-iodo-2-propoxy-3-propyl-4(3H)-quinazolinoneLIH67H4H0ZDTXSID1058008CHEBI:83555RefChem:176570DTXCID4031776606-168-7Proquinazid [ISO]UNII-LIH67H4H0Z
Show more names
dpx-kq926Proquinazid SolutionProquinazid in AcetonitrileProquinazid 100 μg/ml AcetonitrileProquinazid 10 μg/mL in CyclohexaneProquinazid@100 μg/mL in AcetonitrileL16542000CY Proquinazid 10μg/mLin Cyclohexane4(3H)-Quinazolinone, 6-iodo-2-propoxy-3-propyl-
6-iodo-2-propoxy-3-propylquinazolin-4-one6-Iodo-2-propoxy-3-propyl-4(3H)-quinazolinone; Talius6-?Iodo-?2-?propoxy-?3-?propylquinazolin-?4(3H)?-?oneMFCD11616763PROQUINAZID [MI]SCHEMBL21925orb3210896MSK21137

Database identifiers

CAS
189278-12-4
PubChem CID
11057771
DTXSID
DTXSID1058008
ChEBI
CHEBI:83555
UNII
LIH67H4H0Z
EC Number
606-168-7
Nikkaji
J2.417.039J

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Experimental & physicochemical properties

Pesticides · 5 items

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide (Proquinazid) -> USDA PDB

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section169.35 Ų [M+H]+ [CCS Type: TW]

Physicochemical properties

storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
DMSO (Slightly, Heated), Methanol (Slightly)
color
White to Off-White
Henry's Law Constant
3.3 · 3.3×101 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Major Application
agricultureenvironmental
InChI
1S/C14H17IN2O2/c1-3-7-17-13(18)11-9-10(15)5-6-12(11)16-14(17)19-8-4-2/h5-6,9H,3-4,7-8H2,1-2H3

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H351 (69.8%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Hazard information

Regulatory Information · 3 items

Regulation (EC) No 396/2005 (amended)

Proquinazid is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

2010/25/EU, Reg. (EU) 2017/2069, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) 2026/372 , Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 items

Carc. 2 (69.8%)

Carcinogenicity - category 2

Carc. 2

Toxicology

RAIS Toxicity Values · 4 items

0.05

OPP

0.004

OPP

EPA Human Health Benchmarks for Pesticides · 6 items

Proquinazid

0.05

300

Children

0.004

20

Safety data

PPE
dust mask type N95 (US), Gloves
wgk
3
ridadr
UN 3077 9 / PGIII
risk_code
50/53
Signal word
Warning
Symbol(GHS)
GHS08,GHS09

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Fungicides

Environmental transformation -> Pesticides (parent, predecessor)

Applications

Uses6-Iodo-2-propoxy-3-propylquinazolin-4(3H)-one is a fungicidal agent. Pesticide.

General DescriptionProquinazid belongs to the quinazolinone class of fungicides.

Suppliers17 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493
Additional notes · 1 item

DefinitionChEBI: A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 3 and 6 by propoxy, propyl and iodo groups respectively. A fungicide with the potential to control powdery mildew in a range of crops including cereals and grapes.

Related reactions

3 records
New reaction record

Linked notes

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