Methyl (3-(trifluoromethyl)phenyl)acetate

HCID 2734603CAS 62451-84-7

기본 정보

표준 SMILES: COC(=O)Cc1cccc(C(F)(F)F)c1
InChIKey: GMEBDKGPPKAPEM-UHFFFAOYSA-N
분자식: C10H9F3O2
평균 분자량: 218.17 g/mol
단동위원소 질량: 218.05546419

이름 및 식별자

우선 이름: Methyl (3-(trifluoromethyl)phenyl)acetate
IUPAC: methyl 2-[3-(trifluoromethyl)phenyl]acetate
영어명: Methyl 3-(trifluoromethyl)phenylacetate
분자식: C10H9F3O2
분자량: 218.17

이름 및 동의어

62451-84-7methyl [3-(trifluoromethyl)phenyl]acetateDTXSID90370385Methyl (3-(trifluoromethyl)phenyl)acetateRefChem:1089193DTXCID60321420methyl 2-(3-(trifluoromethyl)phenyl)acetateMethyl 3-(trifluoromethyl)phenylacetatemethyl 2-[3-(trifluoromethyl)phenyl]acetateMFCD04039762Methyl (3-trifluoromethylphenyl)acetateMethyl2-(3-(trifluoro

이름 더 보기

Methyl 2-(3-(AURORA KA-6005Methyl 2-(3-(trifluoromethyl)Methyle3-(trifluoromethyl)phenylacetateMethyl3-(trifluoromethyl)phenylacetate,95%Methyl 3-(trifluoromethyl)phenylacetate,97%Methyl 3-(trifluoromethyl)phenylacetate 97%(3-TRIFLUOROMETHYLPHENYL) ACETIC ACID METHYL ESTER

Methyl2-(3-(trifluoromethyl)phenyl)acetateSCHEMBL4338Benzeneacetic acid, 3-(trifluoromethyl)-, methyl esterSCHEMBL30632615methyl m-trifluoromethylphenylacetateMethyl 3-trifluoromethylphenylacetatemethyl-3-trifluoromethylphenylacetateSBB095542

데이터베이스 식별자

CAS: 62451-84-7
PubChem CID: 2734603
DTXSID: DTXSID90370385
EC Number: 642-719-8
Nikkaji: J1.606.937J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 211 ℃ · 211℃
밀도: 1.24 · 1.24
굴절률: 1.45 · 1.45-1.452
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 무색의
InChI: 1S/C10H9F3O2/c1-15-9(14)6-7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
InChIKey: GMEBDKGPPKAPEM-UHFFFAOYSA-N
SMILES: O=C(OC)CC1=CC(C(F)(F)F)=CC=C1

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 29163900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

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