2-(Trifluoromethyl)phenylacetonitrile

TIMTEC-BB SBB006647 · O-TRIFLUOROMETHYLBENZYL CYANIDE · 2-(TRIFLUOROMETHYL)BENZYL CYANIDE · o-Trifluoromethylphenylacetonitrile · 2-(TRIFLUOROMETHYL)PHENYLACETONITRILE · 2-(Trifluoromethyl)benzeneacetonitrile · 1-(2-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE · Benzeneacetonitrile, 2-(trifluoromethyl)-

https://huagongshe.com/ko/chemical/76435

2-(Trifluoromethyl)phenylacetonitrile 분자 구조식

식별자 및 물리적 특성

CAS No.	3038-47-9
분자식	C9H6F3N
평균 분자량	185.15 g/mol
단동위원소 질량	185.04523385 g/mol
SMILES	N#CCc1ccccc1C(F)(F)F
InChIKey	QXDCZSJGEUSERL-UHFFFAOYSA-N
PubChem CID	76435
EC No.	221-239-9
DTXSID	DTXSID50184460

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	213
녹는점	32-35 °C(lit.)
끓는 점	92°C 11mm
밀도	1.2863 (estimate)
인화점	193 °F
굴절률	1.4630
저장 조건	Sealed in dry,Room Temperature
물리적 상태	powder to lump to clear liquid
색상	White or Colorless to Yellow to Orange
BRN	910055

화학적 성질

off-white low melting crystalline solid

안전 및 규제

GHS 분류	WarningH302 (93.5%): 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 (93.5%)
수질 위해 등급(WGK)	3
운송 번호(UN)	3439
관세 코드	29269090
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	26-27-28-36/37/39
포장분류	III
위험 등급	6.1
위험 참고 사항	Irritant

용도

2-(Trifluoromethyl)phenylacetonitrile was used in the facile synthesis of 1,2,3,4-tetrasubstituted naphthalenes via the condensation reaction with aromatic acetonitriles under basic conditions.