CAS 1497-49-0 N-(5-(phenylamino)penta-2,5-dienylidene)aniline monohydrochloride (HCID 73902)

Names & identifiers

Preferred name: N-(5-(phenylamino)penta-2,5-dienylidene)aniline monohydrochloride
IUPAC: N-(5-phenyliminopenta-1,3-dienyl)aniline;hydrochloride
English name: Glutacondianil hydrochloride
Molecular formula: C17H17ClN2
Molecular weight: 284.78

Names & synonyms

N-(5-(Phenylamino)penta-2,5-dienylidene)aniline monohydrochlorideN-[5-(phenylamino)penta-2,5-dienylidene]aniline monohydrochlorideRefChem:828019Glutacondianil hydrochloridePentadienedianiline hydrochloride6L65XPG9ERGlutaconaldehyde dianilide hydrochlorideDTXSID7044398Indocyanine Green Impurity 14Glutaconic aldehyde dianilide (hydrochloride)N-((1E,3E,5E)-5-(phenylimino)penta-1,3-dien-1-yl)aniline hydrochlorideGlutaconaldehyde dianil chloride

Show more names

GLUTACONDIANIL HCLGLUTACONIC ALDEHYDE DIANILIDE HYDROCHLORIDEGLUTACONDIALDEHYDE HCLGlutacondialdehydeDianilHClIndocyanine Green Impurity 2 HCl

N-(5-phenyliminopenta-1,3-dienyl)aniline;hydrochlorideN-(5-(Phenylimino)penta-1,3-dien-1-yl)aniline hydrochlorideN-[5-(Phenylimino)-1,3-pentadien-1-yl]aniline hydrochloride (1:1)Benzenamine, N-(5-(phenylamino)-2,4-pentadienylidene)-, monohydrochlorideBenzenamine, N-[5-(phenylamino)-2,4-pentadienylidene]-, monohydrochlorideN-[(1E,3E,5E)-5-(PHENYLIMINO)PENTA-1,3-DIEN-1-YL]ANILINE HYDROCHLORIDEN-[5-(Phenylamino)-2,4-pentadienylidene]aniline monohydrochlorideGlutaconaldehydedianil hydrochloride

Database identifiers

CAS: 1497-49-0
PubChem CID: 73902
DTXSID: DTXSID7044398
UNII: 6L65XPG9ER
EC Number: 216-094-3

Properties

Computed structural properties

Topological polar surface area: 24.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 305

Physicochemical properties

Melting point: 152 °C · 152 °C
storage temp.: Inert atmosphere,Room Temperature
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Powder
color: Bordeaux to purple
Water Solubility: Soluble in methanol. Insoluble in water..
Sensitive: Hygroscopic
BRN: 3916924 · 3916924
Stability: Hygroscopic
Major Application: diagnostic assay manufacturinghematologyhistology
InChI: InChI=1S/C17H16N2.ClH/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17;/h1-15,18H;1H/b9-3+,14-8+,19-15+;
InChIKey: VUCMMJBDNXZQDJ-SAIFEKGMSA-N
SMILES: C1(N/C=C/C=C/C=N/C2C=CC=CC=2)C=CC=CC=1.Cl
CAS DataBase Reference: 1497 · 1497-49-0(CAS DataBase Reference)
FDA UNII: 6 L65XPG9ER · 6L65XPG9ER
EPA Substance Registry System: 5 · Benzenamine, N-[5-(phenylamino)-2,4-pentadienylidene]-, monohydrochloride (1497-49-0)
UNSPSC Code: 12171500 · 12171500
NACRES: 47 · NA.47
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 36 · 36/37/39-26-37/39-24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29214200 · 29214200
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26083

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29214200
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
safety_code: 36/37/39-26-37/39-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesGlutacondianil Hydrochloride is used as a reagent in the synthesis of novel vinylsulfone cyanine dyes used for labelling biomolecules. Dyes and metabolites.