Consensus flow list

Chloromethyl Styrene

fo-0587ee3dee8d2212

Identity

Type
Neutral molecule
CAS
30030-25-2
EC
250-005-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Chloromethyl Styrene

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HMDQPBSDHHTRNI-UHFFFAOYSA-N, OUZDLYBSGXUUDE-UHFFFAOYSA-N, ZRZHXNCATOYMJH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8;1-2-8-5-3-4-6-9(8)7-10/h2*2-6H,1,7H2, InChI=1S/C9H9Cl/c1-2-8-3-5-9(7-10)6-4-8/h2-6H,1,7H2, InChI=1S/C9H9Cl/c1-2-8-4-3-5-9(6-8)7-10/h2-6H,1,7H2
IUPAC name chemrof:IUPAC_name 1-(chloromethyl)-2-ethenyl-benzene;1-(chloromethyl)-4-ethenyl-benzene, 1-(chloromethyl)-2-ethenylbenzene;1-(chloromethyl)-4-ethenylbenzene, 1-(chloromethyl)-2-vinyl-benzene;1-(chloromethyl)-4-vinyl-benzene, 1-(chloromethyl)-3-ethenyl-benzene, 1-(chloromethyl)-3-ethenylbenzene, 1-(chloromethyl)-3-vinyl-benzene, 1-(chloromethyl)-4-ethenyl-benzene, 1-(chloromethyl)-4-ethenylbenzene, 1-(chloromethyl)-4-vinyl-benzene
Molecular formula chemrof:molecular_formula C18H18Cl2, C9H9Cl
SMILES string chemrof:smiles_string C=CC1=CC=C(C=C1)CCl, C=CC1=CC=C(C=C1)CCl.C=CC1=CC=CC=C1CCl, C=CC1=CC=CC(=C1)CCl

Known URLs

18

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29296-32-0 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=30030-25-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=39833-65-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.975 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.663 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2061808 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50274133 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183735 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CJL4OJ6BS0 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XQH355533S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J91.308A enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J91.309J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/170249 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/177857523 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74126 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q28096079 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q83128715 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/4-Vinylbenzyl_chloride enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
917ae368-889c-487a-a365-1aeec6f7c2cc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e90ef429-e507-492e-84d0-51390dedfebb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a864a654-de7d-4cca-a706-b39afa96026a Environmental → Air → Indoor EF 3.1 kg 2
43075bd0-2e82-4e90-a075-0ef1e4f1a27a Environmental → Air → Long-term EF 3.1 kg 0
d2c082b3-2cb4-4a04-8a42-79cd2a1832d5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4f7ee1f6-8603-42bf-8e7d-e2f37c54b912 Environmental → Air → Unknown EF 3.1 kg 2
f919a3e8-b829-4184-a3db-204f889f1b32 Environmental → Ground → Agricultural EF 3.1 kg 2
ff1ba1e9-7d55-4295-8c1f-d8535ec49ecb Environmental → Ground → Non-agricultural EF 3.1 kg 2
46754ca1-0f72-4b86-96a8-e3cffa3067b1 Environmental → Ground → Unknown EF 3.1 kg 2
d102af1a-b7d0-4efc-ab32-b453d5ac2e29 Environmental → Water → Long-term EF 3.1 kg 0
8cb07320-89fa-4653-abbf-5ca052b58857 Environmental → Water → Ocean EF 3.1 kg 2
931e7778-4bad-493e-be3c-ef7915f31af7 Environmental → Water → Surface water EF 3.1 kg 2
71996d3f-c5ec-4811-8b50-7dc5abd8b6e4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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      "@value": "Toluene, α-chlorovinyl-",
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