4′-(헥실록시)-4-바이페닐탄소니트릴

(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-

HCID 162465CAS 41424-11-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
YUYXUPYNSOFWFV-UHFFFAOYSA-N
분자식
C19H21NO
평균 분자량
279.4 g/mol
단동위원소 질량
279.16231429

이름 및 식별자

우선 이름
(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-
IUPAC
4-(4-hexoxyphenyl)benzonitrile
현지명
4′-(헥실록시)-4-바이페닐탄소니트릴
영어명
4'-(HEXYLOXY)-4-BIPHENYLCARBONITRILE
분자식
C19H21NO
분자량
279.38

이름 및 동의어

[1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-Liquid crystal 5494-Hexyloxycyanodiphenyl4-(4-Hexyloxyphenyl)benzonitrile4-Cyano-4'-hexoxybiphenylBRN 2216640EINECS 255-358-24'-(Hexyloxy)[1,1'-biphenyl]-4-carbonitrileDTXSID60683074'-(Hexyloxy)-(1,1'-biphenyl)-4-carbonitrile(1,1'-Biphenyl)-4-carbonitrile, 4'-(hexyloxy)-4'-(Hexyloxy)(1,1'-biphenyl)-4-carbonitrile
이름 더 보기
4′-(헥실록시)-4-바이페닐탄소니트릴chb6OCBAKOS BAR-2144liquidcrystal549Hexoxybenzonitrile4-cyano-4-hexoxyphenyl4-CYANO-4'-HEXYLOXYBIPHENYL
4'-(HEXYLOXY)-[1,1'-BIPHENYL]-4-CARBONITRILERefChem:68063DTXCID2039910255-358-2YUYXUPYNSOFWFV-UHFFFAOYSA-N41424-11-74'-(Hexyloxy)-4-biphenylcarbonitrile4'-Hexyloxy-[1,1'-biphenyl]-4-carbonitrile

데이터베이스 식별자

CAS
41424-11-7
PubChem CID
162465
DTXSID
DTXSID6068307
UNII
SK3K8V5U78
EC Number
255-358-2
Nikkaji
J28.134D

물성

구조 계산 물성

XLogP
5.6
극성 표면적
33 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
21

물리화학적 성질

녹는점
56 · 56-58 °C(lit.)
끓는 점
430.5 · 430.5±38.0 °C(Predicted)
밀도
1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
액정(네마틱)
색상
흰색에서 거의 흰색

화학적 성질

white crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H312 (95%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (95%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95%)；Skin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；Acute Tox. 4 (95%)；STOT SE 3 (95%)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
DV1764200
독성
LD50 oral in rat: > 10gm/kg
HS 번호
29269090
risk_code
20/21/22-36/37/38

화학 및 산업

용도 및 제조

General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-: ACTIVE
응용 분야 · 2건

용도Intermediates of Liquid Crystals

일반 설명Also known as 6OCBs,these liquid crystals (LCs) are responsive to small changes in temperature, shear, electric (or magnetic) fields, and the structure of solid surfaces with which they are in contact. In LCs exhibiting smectic phases, such as these, the molecules show a degree of translational order and tend to align themselves in layers.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Hebei Maison Chemical Co.,Ltd.+86-008615511852758 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

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