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Proquinazid

Proquinazid structure

CAS No:
189278-12-4
Formula:
C14H17IN2O2
Chemical Name:
Proquinazid
Synonyms:
4(3H)-Quinazolinone,6-iodo-2-propoxy-3-propyl-;6-Iodo-2-propoxy-3-propyl-4(3H)-quinazolinone;Proquinazid;Talius;1135442-74-8
Categories:
Analytical Chemistry > Standard

Description

ChEBI: 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.

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 a member of quinazolines, an organoiodine compound and an aromatic ether.

Proquinazid Basic Attributes

Molecular Weight：

372.2

Exact Mass：

372.20

EC Number：

606-168-7

UNII：

LIH67H4H0Z

DSSTox ID：

DTXSID1058008

Characteristics

PSA：

41.9

XLogP3：

4.09

Density：

1.6±0.1 g/cm3

Boiling Point：

435.1±47.0 °C at 760 mmHg

Flash Point：

217.0±29.3 °C

Refractive Index：

1.625

Vapor Pressure：

0mmHg at 25°C

Collision Cross Section：

169.35 Å² [M+H]+ [CCS Type: TW]

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

GHS Classification：

|Warning|H351: Suspected of causing cancer [Warning Carcinogenicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501|H351 (77.23%): Suspected of causing cancer [Warning Carcinogenicity]|Aggregated GHS information provided by 224 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

proquinazid

Proquinazid Use and Manufacturing

Use Classification：

Agrochemicals -> Fungicides|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Proquinazid has known environmental transformation products that include IN-MM671, IN-MM986, and IN-MM991.

Computed Properties

Molecular Weight:372.20
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:372.03348
Monoisotopic Mass:372.03348
Topological Polar Surface Area:41.9
Heavy Atom Count:19
Complexity:359
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes