tert-Butyl 4-bromo-2-fluorobenzoate

HCID 46738774

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 889858-12-2
표준 SMILES: CC(C)(C)OC(=O)c1ccc(Br)cc1F
InChIKey: ZPGZHSAOCVWZMR-UHFFFAOYSA-N
분자식: C11H12BrFO2
평균 분자량: 275.11 g/mol
단동위원소 질량: 274.00047

이름 및 식별자

우선 이름: tert-Butyl 4-bromo-2-fluorobenzoate
IUPAC: tert-butyl 4-bromo-2-fluorobenzoate
영어명: tert-Butyl 2-bromo-4-fluorobenzoate
분자식: C11H12BrFO2
분자량: 275.11

이름 및 동의어

TERT-BUTYL 4-BROMO-2-FLUOROBENZOATE889858-12-2DTXSID80674425RefChem:188192DTXCID80625174810-257-8MFCD08703426tert-butyl 4-bromo-2-fluoro-benzoatetert-Butyl4-bromo-2-fluorobenzoate4-Bromo-2-fluoro-benzoic acid tert-butyl esterSCHEMBL6433182-methylpropan-2-yl 4-bromo-2-fluorobenzoate

이름 더 보기

tert-Butyl 2-fluoro-4-bromobenzoatetera-butyl 4-Bromo-2-fluorobenzoatetert-Butyl 2-bromo-4-fluorobenzoateBenzoic acid,4-bromo-2-fluoro-, 1,1-dimethylethyl ester

EC 810-257-82-Methylpropan-2-yl 4-bromo-2-fluorobenzoate; 4-Bromo-2-fluoro-benzoic Acid 1,1-Dimethylethyl EsterZPGZHSAOCVWZMR-UHFFFAOYSA-NAKOS013211450CS-W008639DS-3349AC-30114FB106105

데이터베이스 식별자

CAS: 889858-12-2
PubChem CID: 46738774
DTXSID: DTXSID80674425
EC Number: 810-257-8
Nikkaji: J2.566.944D

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 237

물리화학적 성질

끓는 점: 305.7 · 305.7±27.0 °C(Predicted)
밀도: 1.394 · 1.394±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 투명 무색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 23-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16300

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

규제 정보

Regulatory InformationStatus: Active Update: 23-11-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16300

안전 데이터

HS 번호: 2916399090

화학 및 산업

상·하류 제품 정보

상류 원료

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

上海策嵘生物科技有限公司[email protected]

郑州药领医药科技有限公司13526569071 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

화합물 노트

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