p-(4-펜틸사이클로헥실)벤조니트릴

4-(4-Pentylcyclohexyl)benzonitrile

HCID 109063CAS 61204-01-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCC1CCC(c2ccc(C#N)cc2)CC1
InChIKey: FURZYCFZFBYJBT-UHFFFAOYSA-N
분자식: C18H25N
평균 분자량: 255.4 g/mol
단동위원소 질량: 255.1986998

개요

See also: Benzonitrile, 4-(4-pentylcyclohexyl)-, trans- (annotation moved to).

이름 및 식별자

우선 이름: 4-(4-Pentylcyclohexyl)benzonitrile
IUPAC: 4-(4-pentylcyclohexyl)benzonitrile
현지명: 트랜스-4-(4-N-펜틸사이클로헥실)벤조나이트릴
영어명: trans-4-(4-Pentylcyclohexyl)benzonitrile
분자식: C18H25N
분자량: 255.4

이름 및 동의어

4-(4-Pentylcyclohexyl)benzonitrile62788-05-0DTXSID40978451RefChem:1069984DTXCID10103413661204-01-1trans-4-(4-Pentylcyclohexyl)benzonitrile4-(trans-4-Pentylcyclohexyl)benzonitrile4-(trans-4-Pentylcyclohexyl)-benzonitrile4-(trans-4-n-pentylcyclohexyl)benzonitrile4-(TRANS-4'-N-PENTYLCYCLOHEXYL)BENZONITRILEBenzonitrile, 4-(trans-4-pentylcyclohexyl)-

이름 더 보기

트랜스-4-(4-N-펜틸사이클로헥실)벤조나이트릴트랜스-4-(4-N-펜틸사이클로헥실)벤조나이트릴(TRANS-4-(4-N-PENTYLCYCLOHEXYL)BENZO...PCH55PCHZLI-1114ZHKM-1098Pentacyclohexylbenzonitrile4-(4-pentyl-cyclohexyl)-benzonitrile4-Trans-Pentylcyclohexylcyanobenzene4-(trans-pentylcyclohexyl)benzonitrile1α-(4-Cyanophenyl)-4β-pentylcyclohexane

MFCD00075548306962-78-74-(trans-4-Amylcyclohexyl)benzonitrileBenzonitrile, 4-(4-pentylcyclohexyl)-EINECS 262-656-64-((1s,4r)-4-pentylcyclohexyl)benzonitrile4-[(1S,4R)-4-PENTYLCYCLOHEXYL]BENZONITRILE4-(4-pentylcyclohexyl)benzenecarbonitrile

데이터베이스 식별자

CAS: 61204-01-1、62788-05-0
PubChem CID: 109063
DTXSID: DTXSID40978451
EC Number: 262-656-6
Nikkaji: J149.503H、J268.413F

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 284

실험 및 물리화학적 성질

Chemical ClassesLiquid Crystal (LCM) Monomers

SpringerMaterials PropertiesChemical diffusion

물리화학적 성질

녹는점: 30 · 30-55 °C(lit.)
끓는 점: 381 · 381.0±21.0 °C(Predicted)
밀도: 0.97 · 0.97±0.1 g/cm3(Predicted)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 액정(네마틱)
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3/t15-,17-
InChIKey: FURZYCFZFBYJBT-JCNLHEQBSA-N
SMILES: C(#N)C1=CC=C([C@@H]2CC[C@@H](CCCCC)CC2)C=C1
EPA: 4 · Benzonitrile, 4-(trans-4-pentylcyclohexyl)- (61204-01-1)

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: KE-28076
Hazard Classifications: Aquatic Chronic 4
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzonitrile, 4-(trans-4-pentylcyclohexyl)-: ACTIVE

응용 분야

용도Intermediates of Liquid Crystals

상·하류 제품 정보

상류 원료

1-Pentanone, 1-(4-phenylcyclohexyl)-, trans-1-Pentanone, 1-(4-phenylcyclohexyl)-, cis- (9CI)Cyclohexanol, 4-pentyl-1-phenyl-Benzene, (4-pentyl-1-cyclohexen-1-yl)-Benzene, (4-pentylidenecyclohexyl)-벤조일클로라이드,4-(4-펜틸시클로헥실)-,트랜스-4-(트랜스-4-펜틸사이클로헥실)벤조산 4-펜틸시클로헥사논 (4-펜틸사이클로헥시)벤젠 4'-(TRANS-4-N-펜틸사이클로헥실)아세토페논

공급사50 곳

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