Methyl 4-(trifluoromethyl)benzoate

METHYL 4-(TRIFLUOROMETHYL)BENZOATE · RARECHEM AL BF 0111 · Methyl 4-trifluorome · 4-Trifluoromethylbenzoate methyl · Methyl 4-(Trifluoromethyl)Benoate · METHYL P-(TRIFLUOROMETHYL)BENZOATE · Methyl-4-(trifluoroMethyl)benzonate · Methyl4-(trifluoromethyl)benzoate98%

https://huagongshe.com/ko/chemical/520447

Methyl 4-(trifluoromethyl)benzoate 분자 구조식

식별자 및 물리적 특성

CAS No.	2967-66-0
분자식	C9H7F3O2
평균 분자량	204.15 g/mol
단동위원소 질량	204.03981412 g/mol
SMILES	COC(=O)c1ccc(C(F)(F)F)cc1
InChIKey	VAZWXPJOOFSNLB-UHFFFAOYSA-N
PubChem CID	520447
ChEMBL	CHEMBL4637256
EC No.	627-634-6
DTXSID	DTXSID60334353

화학 및 물리적 성질

XLogP	3.2
극성 표면적	26.3
수소 결합 공여자 수	0
수소 결합 수용자 수	5
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	205
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
녹는점	13-14 °C (lit.)
끓는 점	94-95 °C/21 mmHg (lit.)
밀도	1.268 g/mL at 25 °C (lit.)
굴절률	n20/D 1.451(lit.)
인화점	180 °F
저장 조건	Sealed in dry,Room Temperature
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	액체
비중	1.268
색상	투명한 무색~매우 연한 노란색
BRN	1963288
InChI	InChI=1S/C9H7F3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChIKey	VAZWXPJOOFSNLB-UHFFFAOYSA-N
SMILES	C(OC)(=O)C1=CC=C(C(F)(F)F)C=C1
NIST	3-CF3-C6H4-COOCH3(2967-66-0)

화학적 성질

clear colorless to very pale yellow liquid

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	29163990
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 등급	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

일반 설명

Methyl 4-(trifluoromethyl)benzoate is an ester. The reduction of methyl (4-trifluoromethyl)benzoate catalyzed by MoO2Cl2 was reported.