2,6-Dimethylbenzonitrile

2-CYANO-M-XYLENE · 2,6-DIMETHYLBENZONITRILE · 2,6-Dimethylbenzoniitrile · Benzonitrile, 2,6-dimethyl- · 2,6-Dimethylbenzonitrile,99% · Carbonitrile 2,6-dimethylphenoxy

https://huagongshe.com/ko/chemical/81057

식별자 및 물리적 특성

CAS No.	6575-13-9
분자식	C9H9N
평균 분자량	131.17 g/mol
단동위원소 질량	131.07349929 g/mol
SMILES	Cc1cccc(C)c1C#N
InChIKey	QSACPWSIIRFHHR-UHFFFAOYSA-N
PubChem CID	81057
EC No.	229-503-5
DTXSID	DTXSID20215957

화학 및 물리적 성질

XLogP	2.4
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	10
형식 전하	0
복잡도	143
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
녹는점	88-91 °C
끓는 점	93°C/10mmHg(lit.)
밀도	1.0111 (estimate)
굴절률	1.5250 (estimate)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	결정성 분말
색상	베이지색
BRN	1932523
InChI	InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChIKey	QSACPWSIIRFHHR-UHFFFAOYSA-N
SMILES	C(#N)C1=C(C)C=CC=C1C

화학적 성질

beige crystalline powder

안전 및 규제

GHS 분류	WarningH302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
운송 번호(UN)	3439
관세 코드	29269095
위험 문구(R)	20/21/22
위험 표시	Xn,Xi
안전 문구(S)	36/37/39-26
포장분류	III
위험 등급	6.1
위험 참고 사항	Harmful

용도

The presence of the cyano group imparts notable chemical reactivity, making 2,6-DIMETHYLBENZONITRILE useful in various organic synthesis applications, including the production of pharmaceuticals and agrochemicals.