Dicarboxidine hydrochloride
Basic information
- CAS
56455-90-4- Standard SMILES
Cl.Cl.Nc1ccc(-c2ccc(N)c(OCCCC(=O)O)c2)cc1OCCCC(=O)O- InChIKey
BABQSVIBQAEEQX-UHFFFAOYSA-N- Molecular formula
- C20H26Cl2N2O6
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 460.1167919
Names & identifiers
- Preferred name
- Dicarboxidine hydrochloride
- IUPAC
- 4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride
- English name
- Dicarboxidine dihydrochloride
- Molecular formula
- C20H26Cl2N2O6
- Molecular weight
- 461.34
Names & synonyms
56455-90-4Dicarboxidine dihydrochlorideDicarboxidine hydrochlorideDTXSID10205004RefChem:586615DTXCID70127495622-163-2Dicarboxidine . 2 HClDicarboxidine 2HCIHydrochloric acid dicarboxideDicarboxidine 2 HClMFCD00236955
Show more names
dicarboxidinehydrochlorideDicarboxidine . 2 HCl (Q-1195.0001)γ,γ'-(4,4'-diamino-3,3'-biphenylylenedioxy)dibutyric acidgamma,gamma’-3,3’-benzidinedioxydibutyricaciddihydrochlorideG,G'-(4,4'-DIAMINO-3,3'-BIPHENYLYLENEDIOXY)DIBUTYRIC ACID 2HCLgamma, gamma'-[4,4'-Diamino-3,3'-bi-phenylylenedioxy]dibutyric acid4,4’-(4,4’-diamino-m,m’-biphenylenedioxy)di-butyricacidihydrochloride
C20H26Cl2N2O6gamma,gamma'-3,3'-Benzidine dioxydibutyric acid dihydrochlorideButyric acid, 4,4'-(4,4'-diamino-m,m'-biphenylenedioxy)di-, dihydrochloride4-[2-amino-5-[4-amino-3-(3-carboxypropoxy)phenyl]phenoxy]butanoic acid;dihydrochloride(2R)-2-azaniumyl-3-(1H-indol-3-yl)-2-methylpropanoategamma,gamma'-(4,4'-Diamino-3,3'-biphenyldioxy)dibutyric acid dihydrochloride4,4'-((4,4'-DIAMINO-[1,1'-BIPHENYL]-3,3'-DIYL)BIS(OXY))DIBUTYRIC ACID DIHYDROCHLORIDEButanoic acid, 4,4'-((4,4'-diamino-(1,1'-biphenyl)-3,3'-diyl)bis(oxy))bis-, dihydrochloride
Database identifiers
- CAS
56455-90-4- PubChem CID
- 41881
- DTXSID
DTXSID10205004- EC Number
- 622-163-2
Properties
Computed structural properties
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-26-36
- WGK Germany
- 3 · 3
- RTECS
- 7770000 · EK7770000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- EK7770000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-26-36
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesDicarboxidine Hydrochloride was used in preparation of biphenyl dialkanoic and dialkanesulfonic acids as potentially less carcinogenic substitutes for benzidine derivatives.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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