2,6-Xylyl isothiocyanate

2,6-Xylyl isothiocyanate · Xylazine Hydrochloride Impurity C · 2,6-Dimethylphenyl isothiocyanate · 2,6-Dimethylphenyl-1-isothiocyanate · Isothiocyanic acid, 2,6-xylyl ester · Xylazine Hydrochloride EP Impurity C · 2-Isothiocyanato-1,3-dimethylbenzene · 2,6-Dimethylphenyl isothiocyate, 98%

https://huagongshe.com/ko/chemical/87976

식별자 및 물리적 특성

CAS No.	19241-16-8
분자식	C9H9NS
평균 분자량	163.24 g/mol
단동위원소 질량	163.04557029 g/mol
SMILES	Cc1cccc(C)c1N=C=S
InChIKey	UULUECCNPPJFBU-UHFFFAOYSA-N
PubChem CID	87976
EC No.	242-906-0
DTXSID	DTXSID90172826

화학 및 물리적 성질

XLogP	4.1
극성 표면적	44.5
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	11
형식 전하	0
복잡도	162
끓는 점	247 °C (lit.)
밀도	1.085 g/mL at 25 °C (lit.)
굴절률	n20/D 1.627(lit.)
인화점	>230 °F
저장 조건	2-8°C
비중	1.085
용해도	물에서 가수분해됩니다.
BRN	637195
InChI	InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey	UULUECCNPPJFBU-UHFFFAOYSA-N
SMILES	C1(C)=CC=CC(C)=C1N=C=S

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Benzene, 2-isothiocyanato-1,3-dimethyl-
기타 안전 정보	Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories	Acute Tox. 4 (100%)
수질 위해 등급(WGK)	3
운송 번호(UN)	2810
관세 코드	29309090
위험 문구(R)	22-36/37/38-43
위험 표시	Xn,C,Xi
안전 문구(S)	26-36
포장분류	III
위험 등급	6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
저장 분류	10 - Combustible liquids

용도

2,6-Dimethylphenyl isocyanate has been used in the preparation of derivatized β-cyclodextrins, used as chiral stationary phase in normal-phase liquid chromatography, tris( 2,6-dimethylphenylimido)methylrhenium (VII), 1-(2-isopropylphenyl)-3-(2,6-dimethylphenyl)urea.