CAS 1041193-98-9 4,4-Azobis(4-cyanovaleric acid) (HCID 92938)

名称と識別子

優先名称: 4,4-Azobis(4-cyanovaleric acid)
IUPAC: 4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid
現地名: 4,4'-アゾビス(4-シアノ吉草酸)
英語名: 4,4'-Azobis(4-cyanovaleric acid)
分子式: C12H16N4O4
分子量: 280.28

名称と別名

2638-94-04,4-Azobis(4-cyanovaleric acid)Pentanoic acid, 4,4'-azobis(4-cyano-Pentanoic acid, 4,4'-azobis[4-cyano-RefChem:10693184,4'-Azobis(4-cyanovaleric acid)4,4'-(Diazene-1,2-diyl)bis(4-cyanopentanoic acid)Azobis(cyanovaleric acid)4,4'-Azobis(4-cyanopentanoic acid)ACVAABCVADTXSID3044629

名称をさらに表示

4,4'-アゾビス(4-シアノ吉草酸)4,4'-アジビス(4-シアノペンタン酸)4,4'-アゾビス(4-シアノペンタン酸)アゾビス（シアノ吉草酸）アゾビスシアノ吉草酸4,4'-アゾビス(4-シアノ吉草酸) (約20%水含む)4,4′-アゾビス(4-シアノ吉草酸)ｱｿﾞﾋﾞｽ(4-ｼｱﾉﾍﾟﾝﾀﾝ酸)ABCPANC 25AzocarboxyNSC 114466"4,4-Azobis"4,4'-Azobis(4-cyanov4,4'-Azobis(4-cyanovaL

4,4'-azobis-(4-cyanovaleric acid)Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano-1041193-98-94-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid4,4'-Azobis-4-cyanovaleric acid4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid)4,4'-Azobis[4-cyanopentanoic acid]MFCD00002799

データベース識別子

CAS: 1041193-98-9、2638-94-0
PubChem CID: 92938
DTXSID: DTXSID3044629
ChEMBL: CHEMBL3185815
EC Number: 220-135-0
Nikkaji: J3.697.119C、J80.531I

物性

構造計算による物性

XLogP: 0.3
極性表面積: 147 Å²
水素結合供与体数: 2
水素結合受容体数: 8
回転可能結合数: 8
重原子数: 20
形式電荷: 0
複雑度: 466

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical Description · 2 件

Wet Solid

White solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 118 · 118-125 °C (dec.) (lit.)
沸点: 423 °C · 423°C (rough estimate)
比重(密度): 1.2464 · 1.2464 (rough estimate)
屈折率: 1.6081 · 1.6081 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 3.98 · 3.98±0.10(Predicted)
色: White
水溶解度: 水に溶ける。
BRN: 1729856 · 1729856
InChI: 1S/C12H16N4O4/c1-11(7-13,5-3-9(17)18)15-16-12(2,8-14)6-4-10(19)20/h3-6H2,1-2H3,(H,17,18)(H,19,20)/b16-15+
InChIKey: VFXXTYGQYWRHJP-FOCLMDBBSA-N
SMILES: CC(CCC(O)=O)(\N=N\C(C)(CCC(O)=O)C#N)C#N
LogP: 0.8 at · 0.8 at 23℃
CAS データベース: 2638 · 2638-94-0(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4,4'-Azo-bis(4-cyanopentanoic acid)(2638-94-0)
EPAの化学物質情報: 4 · 4,4'-Azobis(4-cyanovaleric acid) (2638-94-0)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 12.4% (30 of 241) of reports.

Danger

H228 (24.5%): Flammable solid [Danger Flammable solids]

P210, P234, P235, P240, P241, P280, P370+P378, P403, P410, P411, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 241 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Pentanoic acid, 4,4'-azobis[4-cyano-

Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano- 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: 03-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/22344

Pentanoic acid, 4,4'-azobis[4-cyano-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Pentanoic acid, 4,4'-azobis[4-cyano-: Human health tier I assessment

Hazards SummaryIntraperitoneal LD50 (mouse) = 666 mg/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Sol. 2 (24.5%)

安全データ

F: 4.4-8
wgk: 2
tsca: TSCA listed
rtecs: YV6190500
ridadr: UN 1325 4.1/PG 2
毒性: LD50 ipr-mus: 666 mg/kg 85JCAE -,922,86
hs_code: 29270000
risk_code: 11
化審法: (2)-2794
消防法: 危-5-II
hazard_code: F
safety_code: 15-16-22-24/25-36
hazard_class: 4.1
Hazard Classifications: Self-react. D
ストレージクラス: 5.2 - Organic peroxides and self-reacting hazardous materials

化学と産業

用途と製造

UsesA free radical initiator. [ChemIDplus]

U.S. Production2023: 48,502 lb

Industry UsesPolymerization promoter

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

Pentanoic acid, 4,4'-(1,2-diazenediyl)bis[4-cyano-: ACTIVE

応用分野 · 2 件

用途重合開始剤、カルボキシル基導入剤。

使用4,4'-Azobis(4-cyanovaleric acid) is used as a free radical imitator in polymer synthesis such as polyvinyl chloride, polyacrylonitrile, polyvinyl alcohol and synthetic fibers. It is utilized for both heterogeneous and homogenous free-radical polymerizations, and as an initiator in reversible addition-fragmentation chain transfer polymerization (RAFT). It is also used as a blowing agent for plastics and elastomers.