플로로(3-)벤조일클로라이드

3-플루오로벤조일클로라이드 · 플로로(3-)벤조일클로라이드 · 3-플루오로벤조일클로라이드(3-FLUOROBENZOYLCHLORIDE) · 3-플루오로벤조일 클로라이드 · m-Fluorobenzoyl · AKOS BBS-00003915 · 3-Fluorobenzoyl chlo · fluorobenzoylchloride

https://huagongshe.com/ko/chemical/74376

식별자 및 물리적 특성

CAS No.	1711-07-5
분자식	C7H4ClFO
평균 분자량	158.56 g/mol
단동위원소 질량	157.9934706 g/mol
SMILES	O=C(Cl)c1cccc(F)c1
InChIKey	SYVNVEGIRVXRQH-UHFFFAOYSA-N
PubChem CID	74376
EC No.	216-977-3
DTXSID	DTXSID5061906
현지명	플로로(3-)벤조일클로라이드

화학 및 물리적 성질

XLogP	3.1
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	138
녹는점	-30 °C (lit.)
끓는 점	189 °C (lit.)
밀도	1.304 g/mL at 25 °C (lit.)
굴절률	n20/D 1.529(lit.)
인화점	180 °F
저장 조건	Store below +30°C.
물리적 상태	액체
색상	무색투명~연황색
BRN	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	Benzoyl chloride, 3-fluoro-(1711-07-5)
EPA	Benzoyl chloride, 3-fluoro- (1711-07-5)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류	DangerH314 (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.
규제 정보	3-Fluorobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Corr. 1B (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3265 8/PG 2
관세 코드	29163900
위험 문구(R)	34-37-36/37-14
위험 표시	C
안전 문구(S)	26-36/37/39-45-28A-27
포장분류	II
위험 등급	8Eye Dam. 1Skin Corr. 1B
F 고인화성물질	19
위험 참고 사항	Corrosive/Lachrymatory
저장 분류	8A - Combustible corrosive hazardous materials

용도

3-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.