Basic information
- CAS
97-35-8- Standard SMILES
CCN(CC)S(=O)(=O)c1ccc(OC)c(N)c1- InChIKey
WBGVVXSCGNGJFL-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3S
- Average molar mass
- 258.34 g/mol
- Monoisotopic mass
- 258.10381361
Names & identifiers
- Preferred name
- Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
- IUPAC
- 3-amino-N,N-diethyl-4-methoxybenzenesulfonamide
- English name
- Fast Red ITR
- Molecular formula
- C11H18N2O3S
- Molecular weight
- 258.34
Names & synonyms
Show more names
Database identifiers
- CAS
97-35-8- PubChem CID
- 66804
- DTXSID
DTXSID1059151- ChEMBL
CHEMBL1409972- UNII
- JX9EQ4DY8G
- EC Number
- 202-575-5
- Nikkaji
- J4.948D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 102 · 102-105°C
- Boiling point
- 410.6 · 410.6±55.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- 1 · chloroform: methanol (1:1): 1%
- form
- powder to crystal
- pka
- 3.23 · 3.23±0.10(Predicted)
- Colour Index
- 37150 · 37150
- color
- White to Light yellow to Light orange
- λmax
- 226 nm · 226 nm
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- InChI=1S/C11H18N2O3S/c1-4-13(5-2)17(14,15)9-6-7-11(16-3)10(12)8-9/h6-8H,4-5,12H2,1-3H3
- InChIKey
- WBGVVXSCGNGJFL-UHFFFAOYSA-N
- SMILES
- C1(S(N(CC)CC)(=O)=O)=CC=C(OC)C(N)=C1
- CAS DataBase Reference
- 97 · 97-35-8(CAS DataBase Reference)
- FDA UNII
- 9 EQ4DY8G · JX9EQ4DY8G
- NIST Chemistry Reference
- 2 · 2-Methoxyaniline-5-sulfonic acid diethylamide(97-35-8)
- EPA Substance Registry System
- 3 · Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy- (97-35-8)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 371 · H371-H312-H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P270-P309+P311-P405-P501-P280-P302+P352-P312-P322-P363-P501
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2935.9 · 2935.90.2000
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Inactive
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.
Warning
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H371 (25%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P308+P316, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.;There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/22157
Regulatory information
Regulatory Information
Chemical: Benzenesulfonamide, 3-amino-N,N-diethyl-4-methoxy-
Status: Cease Manufacture Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/22157
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2935.90.2000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H371-H312-H332-H302
- REACH Registrations
- Inactive
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P260-P264-P270-P309+P311-P405-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Uses & manufacturing
Applications
DescriptionFast Red ITR is a nonlinear optical material and can be used in alkaline phosphatase histochemistry. In addition, it is used for dyeing and printing cotton and viscose fabrics. It is the only light pink fast dye among ice dyes and can replace soluble reduced pink IR (soluble indigo pink IR) and bright red base. It can also be used for the printing and dyeing of silk and nylon fabrics.
UsesFast Red ITR is a nonlinear optical material[1]. Fast Red ITR can be used in alkaline phosphatase histochemistry[1][2].
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers82 total
Related reactions
Compound notes
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