2,2'-Azobis(2,4-dimethyl-4-methoxyvaleronitrile)

HCID 85867

Notes Reactions

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Basic information

CAS: 15545-97-8
Standard SMILES: COC(C)(C)CC(C)(C#N)N=NC(C)(C#N)CC(C)(C)OC
InChIKey: PFHOSZAOXCYAGJ-UHFFFAOYSA-N
Molecular formula: C16H28N4O2
Average molar mass: 308.42 g/mol
Monoisotopic mass: 308.22122614

Overview

See also: 2,2'-Azodi-(2,4-dimethyl-4-methoxyvaleronitrile) (annotation moved to).

Names & identifiers

Preferred name: 2,2'-Azobis(2,4-dimethyl-4-methoxyvaleronitrile)
IUPAC: 2-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile
English name: 2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)
Molecular formula: C16H28N4O2
Molecular weight: 308.42

Names & synonyms

2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)YTJ97D23192,2'-azobis(2,4-dimethyl-4-methoxyvaleronitrile)VAZO-33DTXSID90864597Pentanenitrile, 2,2'-(1,2-diazenediyl)bis(4-methoxy-2,4-dimethyl-2,2'-azobis[4-methoxy-2,4-dimethylvaleronitrile]VALERONITRILE, 2,2'-AZOBIS(4-METHOXY-2,4-DIMETHYL-Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl-2,2'-(1,2-DIAZENEDIYL)BIS(4-METHOXY-2,4-DIMETHYLPENTANENITRILE)RefChem:440193DTXCID60813097

Show more names

v70V-70LEinecs 239-593-82，2'-AZOBIS(4-METHOXY-2，4-DIMETHYLVALERO2,2’-azobis[4-methoxy-2,4-dimethyl-pentanenitril2,2′-Azobis(2,4-dimethyl-4-methoxyvalero-nitrile)Pentanenitrile, 2,2'-azobis[4-methoxy-2,4-dimethyl-2,2'-(diazene-1,2-diyl)bis(4-methoxy-2,4-dimethylpentanenitrile)

15545-97-82-[(2-cyano-4-methoxy-4-methylpentan-2-yl)diazenyl]-4-methoxy-2,4-dimethylpentanenitrile2-2'-azobis(4-methoxy-2,4-dimethylvaleronitrile)2,2'-Azobis(4-methoxy-2,4-dimethylpentanenitrile)Pentanenitrile, 2,2'-azobis(4-methoxy-2,4-dimethyl-2,2'-Azobis[4-methoxy-2,4-dimethylpentanenitrile]V 70UNII-YTJ97D2319

Database identifiers

CAS: 15545-97-8
PubChem CID: 85867
DTXSID: DTXSID90864597
UNII: YTJ97D2319
EC Number: 239-593-8
Nikkaji: J38.147K

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 90.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 463

Experimental & physicochemical properties

Physical DescriptionWet Solid

Physicochemical properties

Melting point: 85 ℃approximate · approximate 85℃approximate 85℃(decomposition)
Boiling point: 389.8 · 389.8±42.0 °C(Predicted)
Density: 0.96 · 0.96±0.1 g/cm3(Predicted)
vapor pressure: 3.55 Pa · 3.55Pa at 25℃
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Water Solubility: 873.4 mg/L · 873.4mg/L at 20℃
LogP: 2.3 at · 2.3 at 25℃
FDA UNII: 97 D2319 · YTJ97D2319
EPA Substance Registry System: 2 · 2,2'-Azobis[4-methoxy-2,4-dimethylpentanenitrile] (15545-97-8)
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 242 · H242-H412
Precautionary statements: 210 · P210-P234-P235-P240-P280-P273-P370+P378-P403-P411-P420-P501
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H242 (100%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

P210, P234, P235, P240, P273, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H242: Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]

Hazard information

Regulatory Information · 2 items

Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl- 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)

Status: Active Update: 26-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/27130

Hazard Classes and Categories · 2 items

Self-react. D (100%)

Self-reactive substances and mixtures - Type D

Safety data

tsca: TSCA listed
Signal word: Danger
Symbol(GHS): GHS02
Hazard statements: H242-H412
REACH Registrations: Active
Precautionary statements: P210-P234-P235-P240-P280-P273-P370+P378-P403-P411-P420-P501

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 47,223 lb

Industry UsesPolymerization promoter

General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

Pentanenitrile, 2,2'-(1,2-diazenediyl)bis[4-methoxy-2,4-dimethyl-: ACTIVE

Applications

Uses2,2’-Azobis(4-methoxy-2,4-dimethylvaleronitrile) is used as a catalyst for facile, controlled, room-temperature RAFT polymerization of isopropylacrylamide.