3-Fluorobenzoyl chloride (HCID 74376)

이름 및 식별자

우선 이름: 3-Fluorobenzoyl chloride
IUPAC: 3-fluorobenzoyl chloride
현지명: 플로로(3-)벤조일클로라이드
영어명: 3-Fluorobenzoyl chloride
분자식: C7H4ClFO
분자량: 158.56

이름 및 동의어

3-Fluorobenzoyl chlorideBenzoyl chloride, 3-fluoro-3-Fluorobenzoxyl chlorideEINECS 216-977-3NSC 88315meta-Fluorobenzoyl chlorideDTXSID5061906RefChem:93951DTXCID7035480216-977-3SYVNVEGIRVXRQH-UHFFFAOYSA-N1711-07-5

이름 더 보기

3-플루오로벤조일클로라이드플로로(3-)벤조일클로라이드3-플루오로벤조일클로라이드(3-FLUOROBENZOYLCHLORIDE)3-플루오로벤조일 클로라이드m-FluorobenzoylAKOS BBS-000039153-Fluorobenzoyl chlofluorobenzoylchloride3-fluoro-benzoylchlorid3-Fluorobenzoylchloride98%3-FluorobenzoylChloride>

m-Fluorobenzoyl chloride3-fluorobenzoylchlorideMFCD00000670Benzoyl chloride, m-fluoro-m-Fluorobenzoic acid chloride3-fluorobenzoic acid chlorideYP3X7K7SYBNSC-88315

데이터베이스 식별자

CAS: 1711-07-5
PubChem CID: 74376
DTXSID: DTXSID5061906
UNII: YP3X7K7SYB
EC Number: 216-977-3
Nikkaji: J143K

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: -30 °C · -30 °C (lit.)
끓는 점: 189 °C · 189 °C (lit.)
밀도: 1.304 g/mL · 1.304 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 180 °F · 180 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 액체
색상: 무색투명~연황색
BRN: 636610 · 636610
InChI: InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H
InChIKey: SYVNVEGIRVXRQH-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=CC=CC(F)=C1
NIST: 3 · Benzoyl chloride, 3-fluoro-(1711-07-5)
EPA: 3 · Benzoyl chloride, 3-fluoro- (1711-07-5)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 5 notifications to the ECHA C&L Inventory.；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 Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

규제 정보

Regulatory Information3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29163900
risk_code: 34-37-36/37-14
hazard_code: C
safety_code: 26-36/37/39-45-28A-27
포장분류: II
위험 등급: 8
F 고인화성물질: 19
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoyl chloride, 3-fluoro-: ACTIVE

응용 분야 · 1건

용도3-Fluorobenzoyl chloride was used in synthesis of 4-[18F]fluoro-N-[2-[1-(2-methoxyphenyl)-1-piperazinyl]ethyl-N-2-pyridinyl-benzamide by radiosynthesis. It was also used as reagent in one-pot synthesis of N-(1,3-diphenyl-1H-pyrazol-5-yl)amides. It was used in three phase hollow fiber liquid-phase microextraction with in situ derivatization method coupled with HPLC-UV for the determination of metformin hydrochloride in biological fluids.