기본 정보
- CAS
41122-70-7- 표준 SMILES
CCCCCCc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
VADSDVGLFDVIMG-UHFFFAOYSA-N- 분자식
- C19H21N
- 평균 분자량
- 263.4 g/mol
- 단동위원소 질량
- 263.16739967
개요
Milky-white thick liquid. (NTP, 1992)
이름 및 식별자
- 우선 이름
- (1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
- IUPAC
- 4-(4-hexylphenyl)benzonitrile
- 현지명
- 4'-헥실-4-비페닐탄소니트릴
- 영어명
- 4'-Hexyl-4-biphenylcarbonitrile
- 분자식
- C19H21N
- 분자량
- 263.38
이름 및 동의어
41122-70-74-Hexyl-4'-cyanobiphenyl4'-Hexyl-4-biphenylcarbonitrile4'-Hexyl-[1,1'-biphenyl]-4-carbonitrile4'-hexylbiphenyl-4-carbonitrile4-N-HEXYL-4'-CYANOBIPHENYLEINECS 255-228-5CCRIS 6044DTXSID4025404(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-[1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-4-Cyano-4'-n-hexylbiphenyl
이름 더 보기
4'-헥실-4-비페닐탄소니트릴6CBK18CYKK1C18PIG46RO-CM-5118Cytokeratin endo BTIMTEC-BB SBB008608
4'-Hexyl(1,1'-biphenyl)-4-carbonitrile4'-Hexyl[1,1'-biphenyl]-4-carbonitrileDTXCID9054044'-HEXYL-(1,1'-BIPHENYL)-4-CARBONITRILERefChem:204002CB 6 (LIQUID CRYSTAL)P-HEXYL-P'-CYANOBIPHENYLK 18 (LIQUID CRYSTAL)
데이터베이스 식별자
- CAS
41122-70-7- PubChem CID
- 38764
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 297
실험 및 물리화학적 성질
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Flash Pointgreater than 220 °F (NTP, 1992)
Physical DescriptionMilky-white thick liquid. (NTP, 1992)
물리화학적 성질
- 녹는점
- 30.5 ℃ · 30.5℃ (polymorph)
- 끓는 점
- 185 °C/2mmHg · 185°C/2mmHg(lit.)
- 밀도
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- 굴절률
- 1.53 · 1.53
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 물리적 상태
- 액정(네마틱)
- 색상
- Colorless to Light orange to Yellow
- 수용성
- 물에 거의 용해되지 않습니다(3.2E-5 g/L)(25°C).
- InChI
- 1S/C19H21N/c1-2-3-4-5-6-16-7-11-18(12-8-16)19-13-9-17(15-20)10-14-19/h7-14H,2-6H2,1H3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupNitriles
Reactivity Profile
Nitriles, such as 4-N-HEXYL-4'-CYANOBIPHENYL, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
안전 및 보호
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-hexyl-: ACTIVE
응용 분야
용도Used in thermoresponsive meso/nanostructured PS-b-PEO block copolymer-dispersed liquid crystal.4′-hexyl-4-biphenylcarbonitrile, 4′-octyloxy-4-biphenylcarbonitrile and their composite liquid crystals were studied for dielectric properties.Proposed applications are in the field of thermo- and electro optical devices (e.g. optical shutters, smart windows, optical sensors,memories and flexible display devices), n phase array optics (e.g. as switchable birefringent phase shifters).
일반 설명Milky-white thick liquid.
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