메틸2-메틸-3-(트리플루오로메틸)벤조에이트

Methyl 2-methyl-3-(trifluoromethyl)benzoate

HCID 17837619

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 346603-63-2
표준 SMILES: COC(=O)c1cccc(C(F)(F)F)c1C
InChIKey: KFJGSNVBDYRBAD-UHFFFAOYSA-N
분자식: C10H9F3O2
평균 분자량: 218.17 g/mol
단동위원소 질량: 218.05546419

이름 및 식별자

우선 이름: Methyl 2-methyl-3-(trifluoromethyl)benzoate
IUPAC: methyl 2-methyl-3-(trifluoromethyl)benzoate
현지명: 메틸2-메틸-3-(트리플루오로메틸)벤조에이트
영어명: Methyl 2-Methyl-3-(trifluoroMethyl)benzoate
분자식: C10H9F3O2
분자량: 218.17

이름 및 동의어

Methyl 2-methyl-3-(trifluoromethyl)benzoate346603-63-2DTXSID10591196RefChem:354382DTXCID20541960870-696-6MFCD14698066Methyl2-methyl-3-(trifluoromethyl)benzoateAKOS016013872GS-5436SY056954CS-0153517

이름 더 보기

메틸2-메틸-3-(트리플루오로메틸)벤조에이트2-methyl-3-(trifluoromethyl)methyl benzoate2-Methyl-3-(trifluoromethyl)benzoic acid methyl esterBenzoic acid, 2-methyl-3-(trifluoromethyl)-, methyl ester

AMY6573FT-0758198A874909SCHEMBL7260682-methyl-3-trifluoromethyl-benzoic acid methyl esterDB-3347872-methyl-3-trifluoromethyl-benzoic acid methyl esF305100

데이터베이스 식별자

CAS: 346603-63-2
PubChem CID: 17837619
DTXSID: DTXSID10591196
EC Number: 870-696-6

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

물리화학적 성질

끓는 점: 220 ℃ · 220℃
밀도: 1.231 · 1.231
인화점: 68 ℃ · 68℃
저장 조건: 2 · 2-8°C
InChI: InChI=1S/C10H9F3O2/c1-6-7(9(14)15-2)4-3-5-8(6)10(11,12)13/h3-5H,1-2H3
InChIKey: KFJGSNVBDYRBAD-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC(C(F)(F)F)=C1C

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.