Disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate

2-Naphthalenesulfonic acid, 6-amino-5-[2-[4-[(2-bromo-1-oxo-2-propen-1-yl)amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:2)
2-Naphthalenesulfonic acid, 6-amino-5-[[4-[(2-bromo-1-oxo-2-propenyl)amino]-2-sulfophenyl]azo]-4-hydroxy-, disodium salt

Property	Value
InChI2D key string chemrof:inchi2d_key_string	TVBHTRRBFCNJGD-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,25H,1,21H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name	Disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate
Molecular formula chemrof:molecular_formula	C19H13BrN4Na2O8S2
Molecular mass chemrof:molecular_mass	615.351
Monoisotopic mass chemrof:monoisotopic_mass	613.915356
SMILES string chemrof:smiles_string	C=C(Br)C(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)[O-])cc(O)c23)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

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=70210-40-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.067.649	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID60890065	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/166128	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q82869876	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
6f5923cf-5640-4631-9f91-e37815ff6c2b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
84e66407-7035-4be6-8e0a-73e93250c19f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
474daf62-9c3e-4761-8656-a2a4a99227bb	Environmental → Air → Indoor	EF 3.1	kg	2
16e95cd9-12ed-4ff7-b8d8-c8830b0e4be8	Environmental → Air → Long-term	EF 3.1	kg	0
e1351da2-22f0-435a-8943-7126045c7906	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
d4224939-68bf-4c46-931c-623de3a5a34e	Environmental → Air → Unknown	EF 3.1	kg	2
3527c6dd-609a-44b5-b4a4-976015c438ce	Environmental → Ground → Agricultural	EF 3.1	kg	2
2e258070-5929-4fd3-b420-362aea1e493e	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
3053c35a-6e07-4028-af98-bbde9d0ad595	Environmental → Ground → Unknown	EF 3.1	kg	2
f5e4afb6-5f9c-4ef7-8eed-358de23acbd9	Environmental → Water → Long-term	EF 3.1	kg	0
6d6c6190-27c5-421e-a6d5-dc6df25f8a37	Environmental → Water → Ocean	EF 3.1	kg	2
49cdb76a-27dd-4738-9cab-8c4592d6b143	Environmental → Water → Surface water	EF 3.1	kg	2
d2a77337-01d7-498d-add2-7df473615b85	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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Disodium 6-amino-5-({4-[(2-bromoacryloyl)amino]-2-sulfonatophenyl}diazenyl)-4-hydroxynaphthalene-2-sulfonate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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