4-(Bis(4-(ethylamino)-3-methylphenyl)methyl)benzene-1,3-disulphonic acid
Basic information
- CAS
94166-75-3- Standard SMILES
CCNc1ccc(C(c2ccc(NCC)c(C)c2)c2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc1C- InChIKey
RTUBHMZPHXKJST-UHFFFAOYSA-N- Molecular formula
- C25H30N2O6S2
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.15452903
Names & identifiers
- Preferred name
- 4-(Bis(4-(ethylamino)-3-methylphenyl)methyl)benzene-1,3-disulphonic acid
- IUPAC
- 4-[bis[4-(ethylamino)-3-methylphenyl]methyl]benzene-1,3-disulfonic acid
- English name
- Leuco xylene cyanole FF
- Molecular formula
- C25H30N2O6S2
- Molecular weight
- 518.65
Names & synonyms
94166-75-3EINECS 303-373-04-(Bis(4-(ethylamino)-3-methylphenyl)methyl)benzene-1,3-disulphonic acidDTXSID002409244-[bis[4-(ethylamino)-3-methylphenyl]methyl]benzene-1,3-disulphonic acidRefChem:515276DTXCID30163415303-373-0SCHEMBL13046350SCHEMBL30197886RTUBHMZPHXKJST-UHFFFAOYSA-N4-{BIS[4-(ETHYLAMINO)-3-METHYLPHENYL]METHYL}BENZENE-1,3-DISULFONIC ACID
Show more names
4-[bis[4-(ethylamino)-3-methylphenyl]methyl]benzene-1,3-disulfonic acid4-[Bis[4-(ethylamino)-3-methylphenyl]methyl]-1,3-benzenedisulfonic acid1,3-Benzenedisulfonic acid, 4-[bis[4-(ethylamino)-3-methylphenyl]methyl]-
NS00040214
Database identifiers
- CAS
94166-75-3- PubChem CID
- 3023925
- DTXSID
DTXSID00240924- EC Number
- 303-373-0
- Nikkaji
- J319.030G
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 855
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- pka
- -1.23 · -1.23±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- 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
- 26 · 26-36
- WGK Germany
- 3 · 3
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 39 reports by companies from 2 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
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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