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 <cf-metadata-bounces at cgd.ucar.edu> on behalf of Alison Pamment - UKRI STFC <alison.pamment at stfc.ac.uk>
Sent: 17 April 2019 17:31
To: CF-metadata (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: 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 <cf-metadata-bounces at cgd.ucar.edu> On Behalf Of Jonathan Gregory
Sent: 09 April 2019 13:46
To: 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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