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Bupirimate

Bupirimate structure

CAS No:
41483-43-6
Formula:
C13H24N4O3S
Chemical Name:
Bupirimate
Synonyms:
Sulfamic acid,N,N-dimethyl-,5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl ester;Sulfamic acid,dimethyl-,5-butyl-2-(ethylamino)-6-methyl-4-pyrimidinyl ester;Bupirimate;Nimrod;PP 588;Buprimate;54659-88-0;58694-46-5;1135442-56-6
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

Description

ChEBI: A member of the class of aminopyrimidines that is 2-ethylaminopyrimidine carrying methyl, butyl and dimethylaminosulfooxy substituents at posiitons 4, 5 and 6 respectively.

Bupirimate is a member of the class of aminopyrimidines that is 2-ethylaminopyrimidine carrying methyl, butyl and dimethylaminosulfooxy substituents at posiitons 4, 5 and 6 respectively. It has a role as an androgen antagonist and an antifungal agrochemical. It is a secondary amino compound, a sulfamate ester, an aminopyrimidine and a pyrimidine fungicide.

Bupirimate Basic Attributes

Molecular Weight：

316.42

Exact Mass：

316.42

EC Number：

255-391-2

UNII：

MCJ121RIOI

DSSTox ID：

DTXSID6041688

HScode：

2933599018

Characteristics

PSA：

92.8

XLogP3：

2.70

Appearance：

Emulsifiable liquid

Density：

1.2±0.1 g/cm3

Melting Point：

50-51 °C

Boiling Point：

463.2±55.0 °C at 760 mmHg

Flash Point：

100 °C

Refractive Index：

1.537

Water Solubility：

22 mg l -1 (pH 5.2), 18 mg l -1 (pH 7.3), 17 mg l -1 (pH 9.3) at 25 °C

Storage Conditions：

0-6°C

Vapor Pressure：

1.0 x 10 -4 Pa at 25 °C

Toxicity：

Oral-rat LD50: 4000 mg/kg; Oral-Mouse LD50: 412 mg/kg

Flammability characteristics：

Thermal decomposition emits toxic nitrogen oxides and sulfur oxide fumes

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

36/37

RTECS Number：

WO5970000

Marks：

Storage features：

The warehouse is ventilated, low temperature and dry; stored separately from food raw materials

Precautionary statement(s)：

P280

Hazard Statements：

H312

GHS Classification：

|Warning|H317: May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P261, P272, P273, P280, P281, P302+P352, P308+P313, P321, P333+P313, P363, P391, P405, and P501|Danger|H311 (11.99%): Toxic in contact with skin [Danger Acute toxicity, dermal]|P201, P202, P261, P272, P273, P280, P281, P302+P352, P308+P313, P312, P321, P322, P333+P313, P361, P363, P391, P405, and P501|Aggregated GHS information provided by 320 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

2-aminoethyl-5-butyl-4(N)-methylsulfonate-6-methylpyrimidine

Bupirimate Use and Manufacturing

Uses

Fungicide.

Use Classification：

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

Agrochemical：

Bupirimate has known environmental transformation products that include DE-B (5-butyl-2-amino-6methylpyrimidin-4-yldimethylsulphamate), DE-E (2-ethylamino-6-methylpyrimidin-4-ol, and Ethirimol.

Computed Properties

Molecular Weight:316.42
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:316.15691181
Monoisotopic Mass:316.15691181
Topological Polar Surface Area:92.8
Heavy Atom Count:21
Complexity:397
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes