diazine-compound production, UPR, ecoinvent 3.6, Undefined

Categories:
ISIC4 categories:
C:Manufacturing/20:Manufacture of chemicals and chemical products/202:Manufacture of other chemical products/2021:Manufacture of pesticides and other agrochemical products
Location:
RER - Europe
Reference year: 2000 - 2010
Description

Location: RER - Europe
This dataset represents the production of diazine-compounds (1 kg of active ingredient). Raw materials are modelled with a stoichiometric calculation. Energy consumption is modelled with data from a similar process. The emissions are estimated. Infrastructure is included with a default value.
[The full documentation of this dataset was originally provided in the corresponding ecoinvent report from the Swiss Centre for Life Cycle Inventories, which is accessible for free to guests and users of ecoinvent version 2 (https://www.ecoinvent.org/login-databases.html). The dataset may subsequently have been subjected to central changes to the database, as described in the respective change report for each new release.]
Undefined unit processes (UPRs) are the unlinked, multi-product activity datasets that form the basis for all of the system models available in the ecoinvent database. This is the way the datasets are obtained and entered into the database by the data providers. These activity datasets are useful for investigating the environmental impacts of a specific activity (gate-to-gate), without regard to its upstream or downstream impacts.

Technology

Diazine-compounds are pesticides with a heterocyclic aromatic ring containing two nitrogen atoms. They are produced by reacting guanidine with an ester.

The dataset diazine-compounds was calculated from the arithmetic mean of all inputs and outputs of the production of amidosulfuron, chloridazon, nicosulfuron, and pirimicarb.

Amidosulfuron is produced in five steps from methane:
CH4 + SO3 → CH4SO3
CH4SO3 + SOCl2 → CH3ClO2S + SO2 + HCl
CH3ClO2S + CH5N → C2H7NSO2 + HCl
C2H7NSO2 + CClNO3S → C3H6N2S2O5 + HCl
C3H6N2O5S2 + C6H9N3O2 → C9H15N5O7S2
Precursors that are used for the amidosulfuron production are amino-4,6-dimethoxy pyrimidine (C6H9N3O2), chlorosulfonyl isocyanate sulfonamide (CClNO3S), dimethyl malonate (C5H8O4), and thionyl chloride (SOCl2).

Chloridazon is produced in four steps from acetylene:
C2H2 + 2 CH2O → C4H6O2
C4H6O2 + 4 Cl2 + H2O → C4H2Cl2O3 + 6 HCl
C4H2Cl2O3 + C6H8N2 → C10H6Cl2N2O + 2 H2O
C10H6Cl2N2O + NH3 → C10H8ClN3O + HCl
Precursors that are used for the chloridazon production are phenyl hydrazine (C6H8N2) and sodium nitrite (NaNO2).

Nicosulfuron is produced in eleven steps from propene:
C3H6 + O2 → C3H4O + H2O
2 C3H4O + NH3 → C6H7N + 2 H2O
C6H7N + 4 Cl2 → C6H3Cl4N + 4 HCl
C6H3Cl4N + 2 H2O → C6H4ClNO2 + 3 HCl
C6H4ClNO2 + H2S → C6H5NO2S + HCl
C6H5NO2S + CH4O → C7H7NO2S + H2O
C7H7NO2S + 2 H2O + 3 Cl2 → C7H6ClNO4S + 5 HCl
C7H6ClNO4S + C4H11N → C11H16N2O4S + HCl
C11H16N2O4S + C4H12NAl → C12H19N3O3S + C3H9OAl
C12H19N3O3S + C2HF3O2 → C8H11N3O3S + C6H9F3O2
C8H11N3O3S + C7H7N3O3 → C15H18N6O6S
Precursors that are used for the nicosulfuron production are tert-butyl amine (C4H11N), (N,N-dimethyl amino)-dimethyl aluminium (C4H12NAl), dimethyl malonate (C5H8O4), 2-isocyanato-4,6-dimethoxy pyrimidine (C7H7N3O3), sodium (Na), and trifluoroacetic acid (C2HF3O2).

Pirimicarb (C11H18N4O2; CAS No.: 23103-98-2) is produced in six steps from ethyl acetate:
2 C4H8O2 → C6H10O3 + C2H6O
C6H10O3 + H2O → C4H6O3 + C2H6O
C4H6O3 + CH3I → C5H8O3 + HI
C5H8O3 + C2H6O → C7H12O3 + H2O
C7H12O3 + C6H20N6SO4 → C8H14N3O + C2H6O + H2O + H2SO4
C8H14N3O + C3H6ClNO → C11H18N4O2 + HCl
Precursors that are used for the pirimicarb production are dimethylcarbamoyl chloride (C3H6ClNO), N,N-dimethyl guanidine sulfate (C6H20N6SO4), and methyl iodide (CH3I).

Precursors:

Amino-4,6-dimethoxy pyrimidine (C6H9N3O2) is produced in five steps from calcium carbide:
CaC2 + N2 → CaCN2 + C
CaCN2 + CO2 + H2O → CH2N2 + CaCO3
CH2N2 → C2H4N4
C2H4N4 + 2 NH4Cl → CH5N3 + 2 HCl
CH5N3 + C5H8O4 → C6H9N3O2 + 2 H2O

Chlorosulfonyl isocyanate sulfonamide (CClNO3S) is produced in three steps from hydrogen chloride and sulfur trioxide :
HCl + SO3 → ClSO2OH
HSO3Cl + NH3 → H2SNO2Cl + H2O
H2SNO2Cl + COCl2 → CClNO3S + 2 HCl

Dimethyl carbamoyl chloride (C3H6ClNO) is produced from phosgene and dimethyl amine:
C2H7N + CCl2O → C3H6ClNO + HCl

Dimethyl malonate (C5H8O4) is produced in four steps from acetic acid:
C2H4O2 + Cl2 → C2H3ClO2 + HCl
C2H3ClO2 + HCN → C3H3NO2 + HCl
C3H3NO2 + NaOH → NaC3H2NO2 + H2O
NaC3H2NO2 + 2 CH4O + HCl → C5H8O4 + NH3 + NaCl

Hydrazine (C2H3N3) is produced in two steps from sodium hypochlorite :
NaOCl + NH3 → NH2Cl + NaOH
NH2Cl + NaOH + NH3 → N2H4 + NaCl + H2O

2-Isocyanato-4,6-dimethoxy pyrimidine (C7H7N3O3) is produced in two steps from calcium carbide :
CaC2 + N2 → CaCN2 + C
CaCN2 + CO2 + H2O → CH2N2 + CaCO3
CH2N2 → C2H4N4
C2H4N4 + 2 NH4Cl → CH5N3 + 2 HCl
CH5N3 + C5H8O4 → C6H9N3O2 + 2 H2O
C6H9N3O2 + COCl2 → C7H7N3O3 + 2 HCl

Methyl iodide (CH3I) is produced from methanol and iodine:
10 CH4O + 5 I2 + 2 P → 10 CH3I + 2 H3PO4 + 2 H2O

(N,N-Dimethyl amino)-dimethyl aluminium (C4H12NAl) is produced in three steps from methylchloride (Unger 1996: 187-190, 1052-1062):
3 CH3Cl + 2 Al → C3H9Al2Cl3
C3H9Al2Cl3 + 3 CH3Cl + 6 Na → C6H18Al2 + 6 NaCl
C6H18Al2 + 2 C2H7N → 2 C4H12NAl + 2 CH4

N,N-Dimethyl guanidine sulfate (C6H20N6SO4) is produced in four steps from calcium carbide :
CaC2 + N2 + O2 → CaCN2 + CO2
CaCN2 + CO2 + H2O → CH2N2 + CaCO3
C2H7N + CH2N2 → C3H9N3
C3H9N3 + H2SO4 → C6H20N6SO4

Sodium (Na) is produced by electrolysis of sodium chloride:
2 NaCl → 2 Na + Cl2

Sodium nitrite (NaNO2) is produced in three steps from ammonia :
4 NH3 + 5 O2 → 4 NO + 6 H2O
2 NO + O2 → 2 NO2
NO2+ NO + 2 NaOH → 2 NaNO2 + H2O

tert-Butyl amine (C4H11N) is produced in two steps from 2-methylpropene :
C4H8 + H2O + HCN + H2SO4 → C5H11NO + H2SO4
C5H11NO + H2O + H2SO4 + 3 NaOH → C4H11N + NaCHO2 + Na2SO4 + 3 H2O

Thionyl chloride (SOCl2) is produced in two steps from sulphur:
S + Cl2 → SCl2
SCl2 + SO2 + Cl2 → 2 SOCl2

Trifluoroacetic acid (C2HF3O2) is produced in two steps from acetic acid:
C2H4O2 + 3 Cl2 → C2HCl3O2 + 3 HCl
C2HCl3O2 + 3 HF → C2HF3O2 + 3 HCl

Process type
Unit
Supported nomenclature
ecoinvent 3.6
LCI modeling approach
Before modeling
Multifunctional modeling
NONE
Format
ECOSPOLD2
Aggregation type
NOT_APPLICABLE
Data provider
ecoinvent
Review status
External
Cost
For sale
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