기본 정보
- CAS
68065-81-6- 표준 SMILES
CCCCCC1CCC(c2ccc(-c3ccc(C#N)cc3)cc2)CC1- InChIKey
QKEBUASRTJNJJS-XUTJKUGGSA-N- 분자식
- C24H29N
- 평균 분자량
- 331.5 g/mol
- 단동위원소 질량
- 331.22999993
이름 및 식별자
- 우선 이름
- [1,1'-Biphenyl]-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-
- IUPAC
- 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
- 현지명
- 트랜스-4'-(4-펜틸사이클로헥실)-4-바이페닐카보니트릴
- 영어명
- trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile
- 분자식
- C24H29N
- 분자량
- 331.49
이름 및 동의어
trans-4-(4-Pentylcyclohexyl)-4'-cyanobiphenyl[1,1'-Biphenyl]-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-EINECS 268-333-6(1,1'-Biphenyl)-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-trans-4'-(4-Pentylcyclohexyl)(1,1'-biphenyl)-4-carbonitriletrans-4'-(4-Pentylcyclohexyl)[1,1'-biphenyl]-4-carbonitrile[1,1'-Biphenyl]-4-carbonitrile, 4'-(4-pentylcyclohexyl)-, trans-(1,1'-Biphenyl)-4-carbonitrile, 4'-(4-pentylcyclohexyl)-, trans-RefChem:391099268-333-668065-81-64'-(Trans-4-pentylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile
이름 더 보기
트랜스-4'-(4-펜틸사이클로헥실)-4-바이페닐카보니트릴BCH55CCBZLI-1131Pentyl cyclohexyl biphenylnitrile4-Cyano-4'-Trans-Pentylcyclohexanebiphenyltrans-4-Cyano-4'-(4-amylcyclohexyl)biphenyltrans-4-Cyano-4'-(4-n-pentylcyclohexyl)biphetrans-4-(4-Pentylcyclohexyl)-4’-cyanobiphenyltrans-4-Cyano-4'-(4-pentylcyclohexyl)biphenyl
4-[4-(4-pentylcyclohexyl)phenyl]benzonitriletrans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrileMFCD01076317C24H29N4'-(4-Pentylcyclohexyl)biphenyl-4-carbonitrile70711-80-74'-(4-PENTYLCYCLOHEXYL)-[1,1'-BIPHENYL]-4-CARBONITRILE4-Cyano-4'-(trans-4-pentylcyclohexyl)-biphenyl
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 23.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 409
실험 및 물리화학적 성질
Chemical ClassesLiquid Crystal (LCM) Monomers
물리화학적 성질
- 녹는점
- 95 · 95-97°C
- 끓는 점
- 211 °C · 211°C(lit.)
- 밀도
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- 수용성
- 물에 약간 용해됩니다.
- InChI
- InChI=1S/C24H29N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h8-9,12-17,19,21H,2-7,10-11H2,1H3/t19-,21-
- InChIKey
- QKEBUASRTJNJJS-XUTJKUGGSA-N
- SMILES
- C1(C2=CC=C([C@@H]3CC[C@@H](CCCCC)CC3)C=C2)=CC=C(C#N)C=C1
- EPA
- 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)- (68065-81-6)
화학적 성질
White crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationChemical: [1,1'-Biphenyl]-4-carbonitrile, 4'-(4-pentylcyclohexyl)-, trans-
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 29269090
- safety_code
- 22-24/25
- 기존화학 물질
- KE-28077
화학 및 산업
용도 및 제조
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(trans-4-pentylcyclohexyl)-: ACTIVE
응용 분야
용도Intermediates of Liquid Crystals
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
石家庄华锐科技有限公司0311-85106800 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
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