사이클로헥사네카본니트릴

사이클로헥사네카본니트릴 · CYANOCYCLOHEXANE · cyclohexyl cyanide · TIMTEC-BB SBB008404 · hexahydrobenzonitril · HEXAHYDROBENZONITRILE · CYCLOHEXANECARBONTRILE · CYCLOHEXANECARBONITRILE

https://huagongshe.com/ko/chemical/69834

식별자 및 물리적 특성

CAS No.	766-05-2
분자식	C7H11N
평균 분자량	109.17 g/mol
단동위원소 질량	109.08914935 g/mol
SMILES	N#CC1CCCCC1
InChIKey	VBWIZSYFQSOUFQ-UHFFFAOYSA-N
PubChem CID	69834
EC No.	212-157-4
DTXSID	DTXSID30227400
현지명	사이클로헥사네카본니트릴

화학 및 물리적 성질

XLogP	2.1
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	103
SpringerMaterials Properties	Schoenflies notation
녹는점	11 °C (lit.)
끓는 점	75-76 °C/16 mmHg (lit.)
밀도	0.919 g/mL at 25 °C (lit.)
굴절률	n20/D 1.4505(lit.)
인화점	149 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	액체
색상	무색
헨리 상수	7.3×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI	1S/C7H11N/c8-6-7-4-2-1-3-5-7/h7H,1-5H2
InChIKey	VBWIZSYFQSOUFQ-UHFFFAOYSA-N
SMILES	N#CC1CCCCC1
NIST	Cyclohexanecarbonitrile(766-05-2)

안전 및 규제

GHS 분류	DangerH301+H311 (12.2%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Status: Active Update: 13-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10777Cyclohexanecarbonitrile: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Acute Tox. 3 (98%)
수질 위해 등급(WGK)	3
RTECS 번호	GU7280000
운송 번호(UN)	UN 3276 6.1/PG 3
관세 코드	2926907090
위험 문구(R)	24/25-36/37/38-23/24/25
위험 표시	T
안전 문구(S)	36/37-45-36/37/39-26-23
포장분류	Ⅲ
위험 등급	6.1Acute Tox. 3 Oral
저장 분류	6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

용도

Cyclohexanecarbonitrile was used as model substrate in rhodium-catalyzed direct ortho-arylation reactions of phenylazoles using arylboron reagents. It was used as probe in the synthesis of an asymmetric, C-magnesiated nitrile.