4,4-Azobis(4-cyanovaleric acid) (HCID 92938)

이름 및 식별자

우선 이름: 4,4-Azobis(4-cyanovaleric acid)
IUPAC: 4-[(4-carboxy-2-cyanobutan-2-yl)diazenyl]-4-cyanopentanoic acid
현지명: 아조비스(시아노길초산)
영어명: 4,4'-Azobis(4-cyanovaleric acid)
분자식: C12H16N4O4
분자량: 280.28

이름 및 동의어

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

이름 더 보기

4,4'-아조비스(4-시아노펜탄오익산)아조비스(시아노길초산)4,4'-아조비스(4-시아노펜탄오익산)(4,4'-AZOBIS(4-CYANOPENTANOICACID))4,4'-아조비스(4-시아노발레르산)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 147 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 20
형식 전하: 0
복잡도: 466

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical Description · 2건

Wet Solid

White solid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 118 · 118-125 °C (dec.) (lit.)
끓는 점: 423 °C · 423°C (rough estimate)
밀도: 1.2464 · 1.2464 (rough estimate)
굴절률: 1.6081 · 1.6081 (estimate)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.98 · 3.98±0.10(Predicted)
색상: 하얀색
수용성: 물에 용해됩니다.
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℃
NIST: 4 · 4,4'-Azo-bis(4-cyanopentanoic acid)(2638-94-0)
EPA: 4 · 4,4'-Azobis(4-cyanovaleric acid) (2638-94-0)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 데이터

wgk: 2
tsca: TSCA listed
rtecs: YV6190500
ridadr: UN 1325 4.1/PG 2
독성: LD50 ipr-mus: 666 mg/kg 85JCAE -,922,86
HS 번호: 29270000
risk_code: 11
hazard_code: F
safety_code: 15-16-22-24/25-36
위험 등급: 4.1
기존화학 물질: KE-01994
F 고인화성물질: 4.4-8
Hazard Classifications: Self-react. D
스토리지 클래스: 5.2 - Organic peroxides and self-reacting hazardous materials

화학 및 산업

용도 및 제조

UsesA free radical initiator. [ChemIDplus]

U.S. Production2023: 48,502 lb

Industry UsesPolymerization promoter

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

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

응용 분야 · 1건

용도4,4'-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.