3-브로모플로로벤젠

3-브로모플로로벤젠 · 1-브로모-3-플루오로벤젠 · 1-BROMO-3-FLUOROBENZENE · Benzene, 1-bromo-3-fluoro- · M-BROMOFLUOROBENZENE · 3-BromofL · NSC 10267 · 3-Bromfluorbenzen

https://huagongshe.com/ko/chemical/14082

식별자 및 물리적 특성

CAS No.	1073-06-9
분자식	C6H4BrF
평균 분자량	175 g/mol
단동위원소 질량	173.94804 g/mol
SMILES	Fc1cccc(Br)c1
InChIKey	QDFKKJYEIFBEFC-UHFFFAOYSA-N
PubChem CID	14082
EC No.	214-023-0
DTXSID	DTXSID9061461
현지명	3-브로모플로로벤젠

화학 및 물리적 성질

XLogP	3.2
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	74
Kovats Retention Index	932.8
녹는점	-8°C
끓는 점	149-151 °C(lit.)
밀도	1.567 g/mL at 25 °C(lit.)
굴절률	n20/D 1.526(lit.)
인화점	102 °F
저장 조건	Sealed in dry,Room Temperature
용해도	0.4g/L
물리적 상태	액체
비중	1.567
색상	무색투명~연황색
용해도	불용성
BRN	1853969
헨리 상수	2.9×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI	1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey	QDFKKJYEIFBEFC-UHFFFAOYSA-N
SMILES	Fc1cccc(Br)c1
NIST	Benzene, 1-bromo-3-fluoro-(1073-06-9)
EPA	Benzene, 1-bromo-3-fluoro- (1073-06-9)

화학적 성질

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안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.5% (2 of 79) of reports.WarningH226 (97.5%): Flammable liquid and vapor [Warning Flammable liquids]H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (96.2%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (94.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 79 reports by companies.There are 9 notifications provided by 77 of 79 reports by companies with hazard statement code(s).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	Status: Active Update: 06-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/306411-Bromo-3-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (97.5%)Acute Tox. 4 (94.9%)Skin Irrit. 2 (96.2%)Eye Irrit. 2A (94.9%)
RAIS Toxicity Values	0.03SCREEN Current0.00030.003PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values	1-Bromo-3-fluorobenzenePDF DocumentInadequate information to assess carcinogenic potential2017

용도

Intermediates of Liquid Crystals