Benzenesulfonic acid, 4-(acetylamino)-2-amino-
Basic information
- CAS
88-64-2- Standard SMILES
CC(=O)Nc1ccc(S(=O)(=O)O)c(N)c1- InChIKey
FOINSAWEWXUXPQ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.03612798
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4-(acetylamino)-2-amino-
- IUPAC
- 4-acetamido-2-aminobenzenesulfonic acid
- English name
- 4-Acetamido-2-aminobenzenesulfonic acid
- Molecular formula
- C8H10N2O4S
- Molecular weight
- 230.24
Names & synonyms
4-Acetamido-2-aminobenzenesulfonic acid88-64-24-(Acetylamino)-2-aminobenzenesulfonic acid3-Aminoacetanilide-4-sulfonic acidBenzenesulfonic acid, 4-(acetylamino)-2-amino-2-Amino 4-acetamidobenzenesulfonic acidACETANILIDE-4-SULFONIC ACID, 3-AMINO-EINECS 201-847-05-Acetylaminoaniline-2-sulfonic acidBenzenesulfonic acid, 4-acetamido-2-amino-4-Acetamido-2-aminobenzenesulphonic acidQE27AMZ5ZC
Show more names
Acetyl MPDSA3-AminoAcetyl MPDSA, Sodium Salt3'-amino-4'-sulfoacetanilide3-Aminoacetanilid-4-sulfonsure5-NITRO-2-AMINOBENZOTRIFLUORIDE2-AMINO-5-NITRO-TRIFLUOROBENZENE2-TRIFLUOROMETHYL-4-NITROANILINE3-amino-acetanilide-4-sulfonicaciA,A,A-TRIFLUORO-4-NITRO-O-TOLUIDINE
NSC 36986BRN 3335986DTXSID6058974NSC-369863-14-00-02203 (Beilstein Handbook Reference)3-AMINOACETANILIDE-4-SULPHONIC ACIDACETANILIDE-4-SULPHONIC ACID, 3-AMINO-BENZENESULPHONIC ACID, 4-ACETAMIDO-2-AMINO-
Database identifiers
- CAS
88-64-2- PubChem CID
- 6939
- DTXSID
DTXSID6058974- UNII
- QE27AMZ5ZC
- EC Number
- 201-847-0
- Nikkaji
- J55.340I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 90 · 90-92 °C(lit.)
- Density
- 1.4655 · 1.4655 (rough estimate)
- refractive index
- 1.569 · 1.5690 (estimate)
- storage temp.
- Room Temperature
- solubility
- DMSO
- form
- Solid
- pka
- -1.34 · -1.34±0.50(Predicted)
- color
- Light Grey
- CAS DataBase Reference
- 88 · 88-64-2(CAS DataBase Reference)
- FDA UNII
- 27 AMZ5ZC · QE27AMZ5ZC
- EPA Substance Registry System
- 4 · Benzenesulfonic acid, 4-(acetylamino)-2-amino- (88-64-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
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
This chemical does not meet GHS hazard criteria for 4.5% (2 of 44) of reports.
Warning
H315 (86.4%): 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 44 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 (86.4%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AE7050000
- hs_code
- 2924.29.7790
- risk_code
- 36/37/38-34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- safety_code
- 26-36/37-45-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-(acetylamino)-2-amino-: ACTIVE
Applications
Uses4-(Acetylamino)-2-aminobenzenesulfonic Acid is used in the synthesis of monoazo anionic dyes.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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