Basic information
- CAS
6424-85-7- Standard SMILES
CC(=O)Nc1ccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]- InChIKey
NTOOJLUHUFUGQI-UHFFFAOYSA-M- Molecular formula
- C22H17N3NaO6S+
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 474.07357573
Names & identifiers
- Preferred name
- Sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
- IUPAC
- sodium 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid
- English name
- Acid blue 40
- Molecular formula
- C22H16N3NaO6S
- Molecular weight
- 473.43
Names & synonyms
NSC366218AKOS030242592CI 62125Blue A2GAcid blue 40Acid Blue 2GLAcid Blue AGGAcid Blue A 2GAcid Blue E 2GC.I. Acid Blue 40Acid Blue A 2G243Acid Blue 40 (C.I.)
Database identifiers
- CAS
6424-85-7- PubChem CID
- 22935
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 1
- Complexity
- 863
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- InChIKey
- NTOOJLUHUFUGQI-UHFFFAOYSA-M
- SMILES
- C12C(=O)C3=C(C=CC=C3)C(=O)C1=C(N)C(S([O-])(=O)=O)=CC=2NC1=CC=C(NC(=O)C)C=C1.[Na+]
- CAS DataBase Reference
- 6424 · 6424-85-7(CAS DataBase Reference)
- FDA UNII
- 81 N3PV2R · WA81N3PV2R
- EPA Substance Registry System
- 40 · C.I. Acid Blue 40 (6424-85-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesAcid Blue 40 is an anthraquinone dye.
Preparation methods
Preparation1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and N-(4-aminophenyl)acetamide in copper salt and tied the presence of acid agents condensation, and then into sodium salt.
Upstream & downstream products
Upstream raw materials
Suppliers46 total
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
河北永泰供应链管理有限公司15130657697 15130657697 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
湖北广奥生物科技有限公司
Related reactions
1 records
Compound notes
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