4-(Trifluoromethyl)phenylacetonitrile

TIMTEC-BB SBB006690 · 4-TRIFLUOROMETHYLBENZYLCYANIDE · P-TRIFLUOROMETHYLBENZYL CYANIDE · Trifluoromethyl phenylacetonitrile · p-Trifluoromethylphenylacetonitrile · 4-(TRIFLUOROMETHYL)PHENYLACETONITRILE · 4-(Trifluoromethyl)benzeneacetonitrile · 4-(Trifluoromethyl)phenylacetonitrile 98%

https://huagongshe.com/ko/chemical/75359

4-(Trifluoromethyl)phenylacetonitrile 분자 구조식

식별자 및 물리적 특성

CAS No.	2338-75-2
분자식	C9H6F3N
평균 분자량	185.15 g/mol
단동위원소 질량	185.04523385 g/mol
SMILES	N#CCc1ccc(C(F)(F)F)cc1
InChIKey	QNKOCFJZJWOXDE-UHFFFAOYSA-N
PubChem CID	75359
EC No.	219-052-2
DTXSID	DTXSID20177940

화학 및 물리적 성질

XLogP	2.5
극성 표면적	23.8
수소 결합 공여자 수	0
수소 결합 수용자 수	4
회전 가능 결합 수	1
무거운 원자 수	13
형식 전하	0
복잡도	205
녹는점	47-49 °C(lit.)
끓는 점	131-132 °C20 mm Hg(lit.)
밀도	1,23 g/cm3
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
용해도	물에 불용성
물리적 상태	powder to crystal
색상	흰색에서 거의 흰색
BRN	909641
InChI	1S/C9H6F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChIKey	QNKOCFJZJWOXDE-UHFFFAOYSA-N
SMILES	FC(F)(F)c1ccc(CC#N)cc1
NIST	4-(Trifluoromethyl)phenylacetonitrile(2338-75-2)

화학적 성질

white crystalline mass or needles

안전 및 규제

GHS 분류	WarningH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (95.7%)
수질 위해 등급(WGK)	3
운송 번호(UN)	3439
관세 코드	29269090
위험 문구(R)	20/21/22-36/37/38-20/21/22/36/37/38
위험 표시	Xn,Xi
안전 문구(S)	26-37/39-26/36/37/39-36/37/39
포장분류	III
위험 등급	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
위험 참고 사항	Irritant
저장 분류	11 - Combustible Solids

용도

4-(Trifluoromethyl)phenylacetonitrile was used in the preparation of:1,4-bis[2-cyano-2-(4-(trifluoromethyl)phenyl)vinyl]benzenecyano-substituted distyrylbenzene derivative, novel n-type organic semiconductor