Dear Roy,
Thanks for looking into the use of PubChem as a suitable reference source for IUPAC chemical names. I had a quick look at ChEBI but found that it didn't produce straightforward search results for some of the chemical species in the list. For example, ChEBI returned results for 'chloro(difluoro)methane' but not for 'hcfc22', so PubChem seems a bit easier to use for standard names.
As no further comments have been received in this thread, the following modifications to standard name definitions are now accepted. They will be added in the May update.
limonene: current definition '1-methyl-4-prop-1-en-2-yl-cyclohexene' will be corrected to '1-methyl-4-prop-1-en-2-ylcyclohexene'. (Affects 8 existing names).
isoprene: current definition '2-methyl-buta-1,3-diene' will be corrected to '2-methylbuta-1,3-diene'. (Affects 10 existing names).
hcfc22: current definition 'chloro-difluoro-methane' will be corrected to 'chloro(difluoro)methane'. (Affects 9 existing names).
hcc140a: current definition '1,1,1-trichloro-ethane' will be corrected to '1,1,1-trichloroethane'. (Affects 10 existing names)
halon2402: current definition '1,2-dibromo-1,1,2,2-tetrafluoro-ethane' will be corrected to '1,2-dibromo-1,1,2,2-tetrafluoroethane'. (Affects 8 existing names).
halon1301: current definition 'bromo-trifluoro-methane' will be corrected to 'bromo(trifluoro)methane'. (Affects 8 existing names).
halon1211: current definition 'bromo-chloro-difluoro-methane' will be corrected to 'bromo-chloro-difluoromethane'. (Affects 8 existing names).
halon1202: current definition 'dibromo-difluoro-methane' will be corrected to 'dibromo(difluoro)methane'. (Affects 8 existing names).
cfc12: current definition 'dichloro-difluoro-methane' will be corrected to 'dichloro(difluoro)methane'. (Affects 11 existing names).
cfc115: current definition '1-chloro-1,1,2,2,2-pentafluoro-ethane' will be corrected to '1-chloro-1,1,2,2,2-pentafluoroethane'. (Affects 8 existing names).
cfc114: current definition '1,2-dichloro-1,1,2,2-tetrafluoro-ethane' will be corrected to '1,2-dichloro-1,1,2,2-tetrafluoroethane'. (Affects 8 existing names).
cfc113a: current definition '1,1,1-trichloro-2,2,2-trifluoro-ethane' will be corrected to '1,1,1-trichloro-2,2,2-trifluoroethane.' (Affects 8 existing names).
cfc113: current definition '1,1,2-trichloro-1,2,2-trifluoro-ethane' will be corrected to '1,1,2-trichloro-1,2,2-trifluoroethane'. (Affects 8 existing names).
cfc11: current definition 'trichloro-fluoro-methane' will be corrected to 'trichloro(fluoro)methane'. (Affects 11 existing names).
Best wishes,
Alison
-----------------------------------------------------------------------------------------------------------
Alison Pamment Tel: +44 1235 778065
NCAS/Centre for Environmental Data Analysis Email: alison.pamment at stfc.ac.uk
STFC Rutherford Appleton Laboratory
R25, 2.22
Harwell Oxford, Didcot, OX11 0QX, U.K.
From: Lowry, Roy K. <rkl at bodc.ac.uk>
Sent: 17 April 2019 18:58
To: Pamment, Alison (STFC,RAL,RALSP) <alison.pamment at stfc.ac.uk>; CF-metadata (cf-metadata at cgd.ucar.edu) <cf-metadata at cgd.ucar.edu>
Subject: Re: [CF-metadata] New halocarbon standard name requests
Hi Alison,
I have never used PubChem - I tend to use ChEBI - but reading around it seems a highly respected standard and I can find no valid argument against its use.
Cheers, Roy.
I have now retired but will continue to be active through an Emeritus Fellowship using this e-mail address.
________________________________________
From: CF-metadata on behalf of Alison Pamment - UKRI STFC
Sent: 17 April 2019 17:31
To: CF-metadata (mailto:cf-metadata at cgd.ucar.edu)
Subject: Re: [CF-metadata] New halocarbon standard name requests
Dear Dan, Roy and Jonathan,
Apologies for the delay in getting back to this discussion. I agree completely that the IUPAC names need to be accurate to facilitate searching of names and definitions. I'm in favour of getting rid of superfluous hyphens as Roy suggests e.g., 1,1,1-trichloro-ethane becomes 1,1,1-trichloroethane.
I used PubChem (
https://pubchem.ncbi.nlm.nih.gov/) to produce the following list of changes to existing standard name definitions. Interestingly, this suggests we should remove hyphens but add brackets in some cases (hcfc22 for example) while others seem to include hyphens where we might not expect them, e.g. halon1211.
limonene: current definition '1-methyl-4-prop-1-en-2-yl-cyclohexene' will be corrected to '1-methyl-4-prop-1-en-2-ylcyclohexene'.
isoprene: current definition '2-methyl-buta-1,3-diene' will be corrected to '2-methylbuta-1,3-diene'.
hcfc22: current definition 'chloro-difluoro-methane' will be corrected to 'chloro(difluoro)methane'.
hcc140a: current definition '1,1,1-trichloro-ethane' will be corrected to '1,1,1-trichloroethane'.
halon2402: current definition '1,2-dibromo-1,1,2,2-tetrafluoro-ethane' will be corrected to '1,2-dibromo-1,1,2,2-tetrafluoroethane'.
halon1301: current definition 'bromo-trifluoro-methane' will be corrected to 'bromo(trifluoro)methane'.
halon1211: current definition 'bromo-chloro-difluoro-methane' will be corrected to 'bromo-chloro-difluoromethane'.
halon1202: current definition 'dibromo-difluoro-methane' will be corrected to 'dibromo(difluoro)methane'.
cfc12: current definition 'dichloro-difluoro-methane' will be corrected to 'dichloro(difluoro)methane'.
cfc115: current definition '1-chloro-1,1,2,2,2-pentafluoro-ethane' will be corrected to '1-chloro-1,1,2,2,2-pentafluoroethane'.
cfc114: current definition '1,2-dichloro-1,1,2,2-tetrafluoro-ethane' will be corrected to '1,2-dichloro-1,1,2,2-tetrafluoroethane'.
cfc113a: current definition '1,1,1-trichloro-2,2,2-trifluoro-ethane' will be corrected to '1,1,1-trichloro-2,2,2-trifluoroethane.'
cfc113: current definition '1,1,2-trichloro-1,2,2-trifluoro-ethane' will be corrected to '1,1,2-trichloro-1,2,2-trifluoroethane'.
cfc11: current definition 'trichloro-fluoro-methane' will be corrected to 'trichloro(fluoro)methane'.
Do you agree with using PubChem as the reference source and are you happy to proceed with these changes?
Regarding the existing carbon tetrafluoride names, I will add pfc14 to the definitions as an alternative name. Similarly, methyl chloroform will be added to the definitions of existing hcc140a names as previously discussed. These changes will be added in the May standard names update.
Best wishes,
Alison
-----------------------------------------------------------------------------------------------------------
Alison Pamment Tel: +44 1235 778065
NCAS/Centre for Environmental Data Analysis Email: mailto:alison.pamment at stfc.ac.uk
STFC Rutherford Appleton Laboratory
R25, 2.22
Harwell Oxford, Didcot, OX11 0QX, U.K.
-----Original Message-----
From: CF-metadata On Behalf Of Jonathan Gregory
Sent: 09 April 2019 13:46
To: mailto:cf-metadata at cgd.ucar.edu
Subject: Re: [CF-metadata] New halocarbon standard name requests
Dear Roy
> You're right about hcc140a - I'd missed that because of the hyphen in the IUPAC name trichloro-ethane. In my view the hyphen doesn't belong there (try googling trichloro-ethane) if the IUPAC standard is strictly followed - should be trichloroethane. If others agree maybe we should clean out the hyphens from the definitions in a future update?
I agree that our chemical names in definitions should follow IUPAC.
Best wishes
Jonathan
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Received on Tue May 07 2019 - 07:36:44 BST
