3-chloro-6-nitrotoluene

1-Chloro-3-methyl-4-nitrobenzene
2-Nitro-5-chlorotoluene
3-Methyl-4-nitrochlorobenzene
4-Chloro-2-methyl-1-nitrobenzene
4-Chloro-2-methylnitrobenzene
5-Chloro-2-nitrotoluene
Benzene, 4-chloro-2-methyl-1-nitro-
Toluene, 5-chloro-2-nitro-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NSMZCUAVEOTJDS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
IUPAC name chemrof:IUPAC_name	3-chloro-6-nitrotoluene
Molecular formula chemrof:molecular_formula	C7H6ClNO2
Molecular mass chemrof:molecular_mass	171.583
Monoisotopic mass chemrof:monoisotopic_mass	171.008706
SMILES string chemrof:smiles_string	Cc1cc(Cl)ccc1[N+](=O)[O-]

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=5367-28-2	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.023.959	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80201912	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J141.343K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/79329	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q72456202	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
a52ef833-e6ed-4702-80aa-0ac8fe478da5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
05386a01-e870-435f-b14d-7838f4eea507	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
ff92d4ab-d515-4183-bda6-9b07bf2afeed	Environmental → Air → Indoor	EF 3.1	kg	2
55fceb1b-55f3-4bad-8031-17f82b3eeb63	Environmental → Air → Long-term	EF 3.1	kg	0
2c0c39f4-0e2d-44bb-a3cf-64bd530e4d0d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0a5ca3e0-0740-4957-a29a-f87b3164c39d	Environmental → Air → Unknown	EF 3.1	kg	2
dc6c0cca-a2d5-4c31-a9e9-a261d0d1bc4f	Environmental → Ground → Agricultural	EF 3.1	kg	2
6db97cb0-1b3c-40cf-b795-10ddb1c9e14e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
2520a52f-d198-4c8b-83ad-3bdd5515de61	Environmental → Ground → Unknown	EF 3.1	kg	2
10e2620f-3a2c-4275-8ee1-cba6657995d1	Environmental → Water → Long-term	EF 3.1	kg	0
8a4db478-3d2f-47d5-906e-2539914b88e0	Environmental → Water → Ocean	EF 3.1	kg	2
d9a211c7-bbd4-46c1-833d-bc20525563bc	Environmental → Water → Surface water	EF 3.1	kg	2
f9f14006-83f6-449e-a1d0-624d7b23ce17	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-dfe2ef5129733b6b",
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    {
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3-chloro-6-nitrotoluene

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Structure

Alternative labels

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