Pentachlorobenzyl Alcohol

(Pentachlorophenyl)methanol
(Perchlorophenyl)methanol
2,3,4,5,6-Pentachlorobenzenemethanol
2,3,4,5,6-Pentachlorobenzyl alcohol
Benzenemethanol, 2,3,4,5,6-pentachloro-
Benzyl alcohol, 2,3,4,5,6-pentachloro-
Blastin
PCBA

Property	Value
InChI2D key string chemrof:inchi2d_key_string	RVCKCEDKBVEEHL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H3Cl5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
IUPAC name chemrof:IUPAC_name	Pentachlorobenzyl Alcohol
Molecular formula chemrof:molecular_formula	C7H3Cl5O
Molecular mass chemrof:molecular_mass	280.365
Monoisotopic mass chemrof:monoisotopic_mass	277.862653
SMILES string chemrof:smiles_string	OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

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=16022-69-8	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8075095	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GP64K9H8HE	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0040450	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.022K	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49051	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/27641	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82003133	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
4e6b4676-2e69-4b3e-870f-c144e9817712	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
63d517fe-944d-4991-acf7-9548d4b37d7e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
98e1f412-265e-46b0-a45c-7cfb89921687	Environmental → Air → Indoor	EF 3.1	kg	2
b15d6940-e3ea-42ac-9293-2f5a2103a01f	Environmental → Air → Long-term	EF 3.1	kg	0
c484db9c-3cc6-4485-bb05-aa257076d86f	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
9ad703ea-6880-48f3-9e22-98a0b4fb43d9	Environmental → Air → Unknown	EF 3.1	kg	2
2f1de045-fb9c-4517-9861-731c83e582de	Environmental → Ground → Agricultural	EF 3.1	kg	2
128e7cf2-cef5-42ac-9333-a7b010cfada4	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
0fa3838b-e956-4af9-9a9e-07ee12662b78	Environmental → Ground → Unknown	EF 3.1	kg	2
33cce661-f5e0-4731-a3b7-a9c7afe11832	Environmental → Water → Long-term	EF 3.1	kg	0
46799344-b23e-47b3-9f54-620f166bc510	Environmental → Water → Ocean	EF 3.1	kg	2
b63fbbf0-929e-460d-9da1-b0018e67f23b	Environmental → Water → Surface water	EF 3.1	kg	2
a8eb961b-8299-45bf-9c11-bc61ad689b23	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

{
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}

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Pentachlorobenzyl Alcohol

Identity

Structure

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