Basic information
- CAS
120-00-3- Standard SMILES
CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N- InChIKey
CNXZLZNEIYFZGU-UHFFFAOYSA-N- Molecular formula
- C17H20N2O3
- Average molar mass
- 300.35 g/mol
- Monoisotopic mass
- 300.1473925
Names & identifiers
- Preferred name
- Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
- IUPAC
- N-(4-amino-2,5-diethoxyphenyl)benzamide
- English name
- Fast Blue BB
- Molecular formula
- C17H20N2O3
- Molecular weight
- 300.35
Names & synonyms
Show more names
Database identifiers
- CAS
120-00-3- PubChem CID
- 67108
- DTXSID
DTXSID8059504- UNII
- 9FB70C7GDI
- EC Number
- 204-363-8
- Nikkaji
- J218.149E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 98 · 98-100 °C
- Boiling point
- 441.58 °C · 441.58°C (rough estimate)
- Density
- 1.0943 · 1.0943 (rough estimate)
- refractive index
- 1.5486 · 1.5486 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Powder or Chunks
- pka
- 12.12 · 12.12±0.70(Predicted)
- Colour Index
- 37175 · 37175
- color
- Gray to brown
- BRN
- 3416889 · 3416889
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C17H20N2O3/c1-3-21-15-11-14(16(22-4-2)10-13(15)18)19-17(20)12-8-6-5-7-9-12/h5-11H,3-4,18H2,1-2H3,(H,19,20)
- InChIKey
- CNXZLZNEIYFZGU-UHFFFAOYSA-N
- SMILES
- CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1N
- Dissociation constant
- 0 at · 0 at 22℃
- FDA UNII
- 9 FB70C7GDI · 9FB70C7GDI
- EPA Substance Registry System
- Benzamide, N-(4-amino-2,5-diethoxyphenyl)- (120-00-3)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 302 · P302+P352
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-36/37/38-41-37/38
- Safety Statements
- 37 · 37/39-26-36/37/39
- RIDADR
- 1789 · UN 1789 8/PG 2
- WGK Germany
- 1 · 1
- TSCA
- TSCA listed
- HS Code
- 29242998 · 29242998
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 · Skin Irrit. 2
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
REACH registered substance: 4'-amino-2',5'-diethoxybenzanilide (EC: 204-363-8)
Benzamide, N-(4-amino-2,5-diethoxyphenyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1789 8/PG 2
- hs_code
- 29242998
- risk_code
- 22-36/37/38-41-37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 37/39-26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315
- REACH Registrations
- Inactive
- Hazard Classifications
- Skin Irrit. 2
- Precautionary statements
- P302+P352
Chemistry & industry
Uses & manufacturing
Applications
UsesFast Blue BB is a component used in assays that detect virus in clinical specimen. It is also used in test kits that detect micro-organisms infection. Dyes and metabolites.
Upstream & downstream products
Upstream raw materials
Suppliers77 total
Related reactions
No reaction records under the current filter.
Compound notes
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