1-isocyanato-3-methylbenzene

3-Methylphenyl isocyanate
3-Tolyl isocyanate
Benzene, 1-isocyanato-3-methyl-
Isocyanic acid, m-tolyl ester
m-Isocyanatotoluene
m-Methylphenyl isocyanate
m-Tolyl isocyanate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CPPGZWWUPFWALU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
IUPAC name chemrof:IUPAC_name	1-isocyanato-3-methylbenzene
Molecular formula chemrof:molecular_formula	C8H7NO
Molecular mass chemrof:molecular_mass	133.15
Monoisotopic mass chemrof:monoisotopic_mass	133.052764
SMILES string chemrof:smiles_string	Cc1cccc(N=C=O)c1

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=621-29-4	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.009.707	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9060732	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QR6QV3EC23	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.637C	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/69303	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72509302	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
0cdb6047-6de3-4485-bfcd-a5f4a75d5d66	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4352beb8-161e-478c-acd4-21ed89da6fe7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
2a739e1b-ed11-4722-89a4-e97867c672ed	Environmental → Air → Indoor	EF 3.1	kg	2
00c6d7fd-7192-424c-a904-16775f6307c9	Environmental → Air → Long-term	EF 3.1	kg	0
fdee045e-80af-4c51-bc02-4e776defc41c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
998f1016-fa73-4737-93e2-6e14bcf6ef3f	Environmental → Air → Unknown	EF 3.1	kg	2
cf09198e-c018-4f77-9b2e-9f7dba902056	Environmental → Ground → Agricultural	EF 3.1	kg	2
295d350a-56d5-4d63-8ba4-55538d56ea39	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
0e730928-ef81-4d92-ac04-a109a0d45d97	Environmental → Ground → Unknown	EF 3.1	kg	2
ac1b17e3-2196-4d94-b6d8-c026223a157b	Environmental → Water → Long-term	EF 3.1	kg	0
17025f61-d73c-4422-b267-2d616a02a0bb	Environmental → Water → Ocean	EF 3.1	kg	2
3cefa996-6c7b-4198-a97c-c909c39188f0	Environmental → Water → Surface water	EF 3.1	kg	2
c9d2eefd-05e4-422d-8bc1-e565cc8baf78	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
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}

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1-isocyanato-3-methylbenzene

Identity

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