Basic information
- CAS
72968-71-9- Standard SMILES
COCCCNc1nc(NCCCOC)c(N=Nc2sc(C(=O)OC)c(C)c2C#N)c(C)c1C#N- InChIKey
SRTQDAZYCNOJON-UHFFFAOYSA-N- Molecular formula
- C23H29N7O4S
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 499.20017361
Names & identifiers
- Preferred name
- Methyl 4-cyano-5-(2-(5-cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-3-methyl-2-thiophenecarboxylate
- IUPAC
- methyl 4-cyano-5-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methyl-3-pyridinyl]diazenyl]-3-methylthiophene-2-carboxylate
- English name
- methyl 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridyl]azo]-3-methyl-2-thenoate
- Molecular formula
- C23H29N7O4S
- Molecular weight
- 499.59
Names & synonyms
72968-71-9DTXSID6072687Methyl 4-cyano-5-((5-cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridyl)azo)-3-methyl-2-thenoateMethyl 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridyl]azo]-3-methyl-2-thenoateRefChem:816380DTXCID6047440277-146-9Methyl 4-cyano-5-(2-(5-cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)diazenyl)-3-methyl-2-thiophenecarboxylateSolvent Red 195EINECS 277-146-9methyl 4-cyano-5-[[5-cyano-2,6-bis(3-methoxypropylamino)-4-methylpyridin-3-yl]diazenyl]-3-methylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-3-methyl-, methyl ester
Show more names
Transparent Red BBRC.I. Solvent Red 195SRTQDAZYCNOJON-QVIHXGFCSA-Nmethyl 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4...2-thiophenecarboxylic acid, 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]2-Thiophenecarboxylic acid, 4-cyano-5-5-cyano-2,6-bis(3-methoxypropyl)amino-4-methyl-3-pyridinylazo-3-methyl-, methyl ester2-[[5-Cyano-2,6-bis[(3-methoxypropyl)amino]-4-methylpyrid-3-yl]azo]-3-cyano-4-methylthiophen-5-carboxylic acid, methyl ester4-Cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methylpyridin-3-yl]azo]-3-methyl-2-thiophenecarboxylic acid methyl ester2-Thiophenecarboxylic acid, 4-cyano-5-[2-[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-3-methyl-, methyl ester
2-Thiophenecarboxylicacid,4-cyano-5-[2-[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-3-methyl-,methyl ester2-Thiophenecarboxylic acid, 4-cyano-5-((5-cyano-2,6-bis((3-methoxypropyl)amino)-4-methyl-3-pyridinyl)azo)-3-methyl-, methyl estermethyl (E)-4-cyano-5-((5-cyano-2,6-bis((3-methoxypropyl)amino)-4-methylpyridin-3-yl)diazenyl)-3-methylthiophene-2-carboxylateMethyl 4-cyano-5-5-cyano-2,6-bis(3-methoxypropyl)amino-4-methyl-3-pyridylazo-3-methyl-2-thenoateorb2565267SCHEMBL13904473SCHEMBL28467027SCHEMBL30153519
Database identifiers
- CAS
72968-71-9- PubChem CID
- 166379
- DTXSID
DTXSID6072687- EC Number
- 277-146-9
- Nikkaji
- J296.431G
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 797
Experimental & physicochemical properties
Physical DescriptionDry Powder
Physicochemical properties
- Boiling point
- 731.3 · 731.3±60.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.10(Predicted)
- LogP
- 6.1 at · 6.1 at 25℃
- EPA Substance Registry System
- 2 · 2-Thiophenecarboxylic acid, 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-3-methyl-, methyl ester (72968-71-9)
- Hazard statements
- 413 · H413
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 43.5% (80 of 184) of reports.
H413 (56.5%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 184 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2-Thiophenecarboxylic acid, 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-3-methyl-, methyl ester
2-Thiophenecarboxylic acid, 4-cyano-5-[2-[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-3-methyl-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Thiophenecarboxylic acid, 4-cyano-5-[2-[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-3-methyl-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Methyl 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridyl]azo]-3-methyl-2-thenoate (EC: 277-146-9)
2-Thiophenecarboxylic acid, 4-cyano-5-5-cyano-2,6-bis(3-methoxypropyl)amino-4-methyl-3-pyridinylazo-3-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
General Manufacturing Information2-Thiophenecarboxylic acid, 4-cyano-5-[2-[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]diazenyl]-3-methyl-, methyl ester: ACTIVE
Applications
UsesSolvent red 195 is a red dye. Its series of products, such as Solvent orange 60 (HY-D1177), has been used in dyeing applications of plastic materials.
Suppliers3 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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