Basic information
- CAS
24124-40-1- Standard SMILES
Cc1c(N)c(C)c(S(=O)(=O)O)c(C)c1Nc1cc(S(=O)(=O)O)c(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
LQWXDEOZWGMSAR-UHFFFAOYSA-N- Molecular formula
- C23H21N3O8S2
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.07700698
Names & identifiers
- Preferred name
- 1-Amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
- IUPAC
- 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
- English name
- BLUE BASE P-3R
- Molecular formula
- C23H21N3O8S2
- Molecular weight
- 531.56
Names & synonyms
EINECS 246-025-2EC 246-025-21-Amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-2-Anthracenesulfonic acid, 1-amino-4-((3-amino-2,4,6-trimethyl-5-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-RefChem:429331246-025-2Blue Base P-3R24124-40-11-amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acidSCHEMBL8021024DTXSID8074023
Show more names
BLUE BASE P-3R/Basic Blue 3R1-Amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9m10-dihydro-9,10-dioxoa1-Amino-4-(5-Amino-3-Sulfo-2,4,6-Trimethyl-Aniline)-Anthraquinone-2-Sulfonic Acid (Blue Base P-3R)1-Amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid1-Amino-4-(5-amino-2,4,6-trimethyl-3-sulfoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulfonic acid
NS000050661-Amino-4-(3'-amino-2',4',6'-trimethyl-5'-sulfoanilino)anthraquinone-2-sulfonic acid1-Amino-4-(3-amino-2,4,6-trimethyl-5-sulfoanilino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Database identifiers
- CAS
24124-40-1- PubChem CID
- 90368
- DTXSID
DTXSID8074023- EC Number
- 246-025-2
- Nikkaji
- J33.363H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Density
- 1.64 · 1.640
- pka
- -1.22 · -1.22±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo- (24124-40-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- REACH Registrations
- Inactive
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-amino-4-(3-amino-2,4,6-trimethyl-5-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid (EC: 246-025-2)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
宁波亿诺化学品有限公司13867897135 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
2 records
Compound notes
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