Benzoic acid, 4-fluoro-, ethyl ester (HCID 67976)

이름 및 식별자

우선 이름: Benzoic acid, 4-fluoro-, ethyl ester
IUPAC: ethyl 4-fluorobenzoate
영어명: Ethyl 4-fluorobenzoate
분자식: C9H9FO2
분자량: 168.16

이름 및 동의어

Ethyl 4-fluorobenzoate451-46-74-Fluorobenzoic acid ethyl esterEthyl p-fluorobenzoateBenzoic acid, 4-fluoro-, ethyl esterp-Fluorobenzoic acid, ethyl esterBenzoic acid, p-fluoro-, ethyl esterEINECS 207-194-8NSC 190692DTXSID6060006RefChem:565985DTXCID1040376

이름 더 보기

uorobenzoateRARECHEM AL BI 0076Ethyl 4-fluorobenzoaEthyl-4-fluorbenzoatEthyep-fluorobenzoateEthyl π-fluorobenzoateethyle4-fluorobenzoateEthyl4-fluorobenzoate98%

Benzoic acid, p-fluoro-, ethyl ester (8CI)207-194-8MFCD00000351ethyl-4-fluorobenzoate4-fluoro-benzoic acid ethyl esterNSC-190692ETHYL4-FLUOROBENZOATEethyl 4-fluoro-benzoate

데이터베이스 식별자

CAS: 451-46-7
PubChem CID: 67976
DTXSID: DTXSID6060006
UNII: 2X65353N8G
EC Number: 207-194-8
Nikkaji: J54J

물성

구조 계산 물성

XLogP: 2.9
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 25 · 25-27°C
끓는 점: 210 °C · 210 °C (lit.)
밀도: 1.146 g/mL · 1.146 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.486(lit.)
인화점: 178 °F · 178 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 저융점 고체
Specific Gravity: 1.146 · 1.146
색상: 무색~담황색
Merck: 14 · 14,4171
BRN: 1866794 · 1866794
InChI: InChI=1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
InChIKey: UMPRJGKLMUDRHL-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C1=CC=C(F)C=C1
NIST: 4 · Benzoic acid, 4-fluoro-, ethyl ester(451-46-7)
EPA: 4 · Benzoic acid, 4-fluoro-, ethyl ester (451-46-7)

화학적 성질

Colorless to pale yellow low melting solid

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163900
risk_code: 36/37/38
hazard_code: F,Xi
safety_code: 23-24/25-25-24
위험 등급: IRRITANT
위험 참고 사항: Flammable
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-fluoro-, ethyl ester: INACTIVE

응용 분야 · 2건

용도Ethyl 4-fluorobenzoate may be used in the synthesis of 4,4′-(1,4-piperazinediyl) bisbenzoic acid ethyl ester.

일반 설명Ethyl 4-fluorobenzoate is a clear colorless liquid. The purified [18F]fluoride is used for solution phase nucleophilic labeling of ethyl [18F]4-fluorobenzoate. Ethyl 4-fluorobenzoate causes N-arylation of 5-methoxyindole in presence of 18-crown-6 by using microwave-assisted technology.

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

연결된 노트

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Benzoic acid, 4-fluoro-, ethyl ester

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