메틸4-브로모-3-(트리플루오로메틸)벤조에이트

Methyl 4-bromo-3-(trifluoromethyl)benzoate

HCID 10891333

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 107317-58-8
표준 SMILES: COC(=O)c1ccc(Br)c(C(F)(F)F)c1
InChIKey: DTVRLJMSCKUEEN-UHFFFAOYSA-N
분자식: C9H6BrF3O2
평균 분자량: 283.04 g/mol
단동위원소 질량: 281.95032619

이름 및 식별자

우선 이름: Methyl 4-bromo-3-(trifluoromethyl)benzoate
IUPAC: methyl 4-bromo-3-(trifluoromethyl)benzoate
현지명: 메틸4-브로모-3-(트리플루오로메틸)벤조에이트
영어명: Methyl 4-Bromo-3-(Trifluoromethyl)benzoate
분자식: C9H6BrF3O2
분자량: 283.04

이름 및 동의어

Methyl 4-bromo-3-(trifluoromethyl)benzoate107317-58-8DTXSID80447393RefChem:355615DTXCID20398214691-031-4MFCD105664094-bromo-3-(trifluoromethyl)benzoic acid methyl esterMethyl4-bromo-3-(trifluoromethyl)benzoateMethyl 4-bromo-3-trifluoromethyl benzoate4-Bromo-3-trifluoromethyl-benzoic acid methyl esterBenzoic acid, 4-bromo-3-(trifluoromethyl)-, methyl ester

이름 더 보기

메틸4-브로모-3-(트리플루오로메틸)벤조에이트2-Bromo-5-(methoxycarbonMethyl 4-bromo-3-(trifluoromethyl)3-trifluoromethyl-methyl-4- bromobenzoateMethyl 4-Bromo-3-trifluoromethyl benzonate3-(Trifluoromethyl)-4-bromobenzoate methyl2-Bromo-5-(methoxycarbonyl)benzotrifluorideMethyl 4-bromo-3-(trifluoromethyl)benzoate 98%

4-bromo-3-(trifluoromethyl)benzoicacidmethylestSCHEMBL321308AKOS015912153CS-W019106FM33900PS-7212SY043321DB-059619

데이터베이스 식별자

CAS: 107317-58-8
PubChem CID: 10891333
DTXSID: DTXSID80447393
EC Number: 691-031-4
Nikkaji: J1.724.852I

물성

구조 계산 물성

XLogP: 3.4
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: 242

물리화학적 성질

끓는 점: 274 ℃ · 274℃
밀도: 1.598 · 1.598
인화점: 120 ℃ · 120℃
저장 조건: 2 · 2-8°C
물리적 상태: 고체
InChI: InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3
InChIKey: DTVRLJMSCKUEEN-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(Br)C(C(F)(F)F)=C1

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.