홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

4-브로모플로르벤젠

1-Bromo-4-fluorobenzene

HCID 9993
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
460-00-4
표준 SMILES
Fc1ccc(Br)cc1
InChIKey
AITNMTXHTIIIBB-UHFFFAOYSA-N
분자식
C6H4BrF
평균 분자량
175 g/mol
단동위원소 질량
173.94804

개요

1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)

이름 및 식별자

우선 이름
1-Bromo-4-fluorobenzene
IUPAC
1-bromo-4-fluorobenzene
현지명
4-브로모플로르벤젠
영어명
4-Bromofluorobenzene
분자식
C6H4BrF
분자량
175

이름 및 동의어

1-Bromo-4-fluorobenzene4-Bromofluorobenzene460-00-44-Fluorobromobenzenep-Bromofluorobenzenep-Fluorobromobenzene4-Fluorophenyl bromideBenzene, 1-bromo-4-fluoro-1-Fluoro-4-bromobenzene4-Fluoro-1-bromobenzenep-Fluorophenyl bromide4-bromo-1-fluorobenzene
이름 더 보기
1-브로모-4-플루오로벤젠4-브로모플로로벤젠4-브로모플로르벤젠BFBPBFB4-BROMO FLUORO BENZENPARA FLUORO BROMO BENZENEnsc10268p-BrF-Ph
DTXSID4027153A7ZH69I3KH4-BROMOPHENYL FLUORIDENSC-9460NSC-10268P-BROMOPHENYL FLUORIDE4-FLUOROBENZENE BROMIDECHEBI:141551

데이터베이스 식별자

CAS
460-00-4
PubChem CID
9993
DTXSID
DTXSID4027153
ChEMBL
CHEMBL1876826
ChEBI
CHEBI:141551
UNII
A7ZH69I3KH
EC Number
207-300-2
Nikkaji
J37.677I

물성

구조 계산 물성

XLogP
3.2
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
8
형식 전하
0
복잡도
66.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Monoaromatics
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density · 2건

1.4946 at 68 °F (NTP, 1992) - Denser than water; will sink

1.593 @ 15°C

Flash Point140 °F (NTP, 1992)
Boiling Point · 2건

306 °F at 764 mmHg (NTP, 1992)

151.5 °C @760 [mm Hg]

Melting Point · 2건

18 °F (NTP, 1992)

-17.4 °C

Vapor Pressure2.84 [mmHg]
Physical Description · 2건

1-bromo-4-fluorobenzene is a colorless liquid. (NTP, 1992)

Colorless to slightly yellow liquid; [NTP] Colorless liquid with an aromatic odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
16 °C · −16 °C(lit.)
끓는 점
150 °C · 150 °C(lit.)
밀도
1.593 g/mL · 1.593 g/mL at 25 °C(lit.)
증기압
4.99 hPa · 4.99hPa at 25℃
굴절률
20 · n20/D 1.527(lit.)
인화점
140 °F · 140 °F
저장 조건
2 · 2-8°C
용해도
0.136 g/L · 0.136g/L
물리적 상태
액체
색상
무색의
수용성
물에 용해됨(0.14g/L).
BRN
774102 · 774102
Henry's Law Constant
5.3 · 5.3×10-3 mol/(m3Pa) at 25℃, Hiatt (2013)
InChI
1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
InChIKey
AITNMTXHTIIIBB-UHFFFAOYSA-N
SMILES
Fc1ccc(Br)cc1
LogP
3.018 at · 3.018 at 25℃
NIST
p-Bromofluorobenzene(460-00-4)
EPA
p-Bromofluorobenzene (460-00-4)

화학적 성질

clear colorless liquid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 1.2% (2 of 161) of reports.

Warning

H226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 161 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: Benzene, 1-bromo-4-fluoro-

SP - indicates a substance that is identified in a proposed Significant New Use Rule.

REACH registered substance: 1-bromo-4-fluorobenzene (EC: 207-300-2)

1-Bromo-4-fluorobenzene: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelFlammable Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsACUTE/CHRONIC HAZARDS: Irritant. (NTP, 1992)
Hazards Summary · 1건

A skin and eye irritant in rabbits; A mild skin sensitizer in guinea pigs (20% sensitization rate in the Magnusson and Kligman test); Acute oral and inhalation studies of rats produced tremor, changes in motor activity, ataxia, and/or dyspnea; Structurally similar compounds are hepatotoxins and animal carcinogens; [NTP] A mild skin and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS] See p-Dichlorobenzene.

Reactive GroupAryl Halides
Reactivity AlertsHighly Flammable
Reactivity Profile · 1건

Simple aromatic halogenated organic compounds, such as 1-BROMO-4-FLUOROBENZENE, are very unreactive. Halogenated organics generally become less reactive as more of their hydrogen atoms are replaced with halogen atoms. Materials in this group may be incompatible with strong oxidizing and reducing agents. Also, they may be incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.

Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and CategoriesFlam. Liq. 3 (98.8%)

안전 및 보호

Fire FightingTo extinguish a fire involving this chemical you may use a dry chemical, carbon dioxide, foam or halon extinguisher; a water spray may also be used. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter.

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Toxicity DataLC50 (rat) = 18,000 mg/m3/4hr
RAIS Toxicity Values · 6건

0.03

SCREEN Current

0.0003

SCREEN Current

0.003

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 4건

p-Bromofluorobenzene

PDF Document

Inadequate information to assess carcinogenic potential

2017

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

2.30e+01

3.50e+02

4.60e+00

1.00e+01

4.40e-03

3.00e-04

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

7.00e+01

1.10e+03

1.40e+01

1.00e+01

3.00e-04

Volatile

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
CY9033750
ridadr
UN 1993 3/PG 3
HS 번호
29036990
risk_code
10-36/37/38-20-39/23/24/25-23/24/25-11-20/21/22
hazard_code
Xi,F,Xn,T
safety_code
26-36-37/39-16-45-36/37-7
포장분류
III
위험 등급
3
위험 참고 사항
Flammable/Irritant
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2
스토리지 클래스
3 - Flammable liquids

화학 및 산업

용도 및 제조

UsesUsed as an intermediate for agrochemicals, in organic syntheses, and as a tuning, internal, or surrogate standard for gas chromatography/mass spectrometry in the determination of volatile organic compounds; [NTP]
General Manufacturing InformationBenzene, 1-bromo-4-fluoro-: ACTIVE

응용 분야

용도4-Bromofluorobenzene is a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents.

일반 설명Colorless liquid.

상·하류 제품 정보

상류 원료

플루오르벤젠탄산 칼륨브롬

하류 제품

(-)-2-베타-탄소메톡시-3-베타-(4-플루오로페닐)트로판4-Fluoro-3-(hydroxymethyl)benzeneboronic acid2-브로모-5-플루오로벤즈알데히드2-Bromo-5-fluoroaniline4-Fluorothiophenol4-플루오로스티렌4-bromo-2,6-dinitrophenol1,1'-(4-클로로부틸리덴)비스(4-플루오로벤젠)P-플루오로페닐트리메톡시실란1,2-BIS-(4-플루오로페닐)에타논1-Bromo-4-fluoro-2-nitrobenzene2,4-Dibromo-1-fluorobenzene4-Fluoro-N,N-diphenylbenzenamine4-Fluorobenzophenone2-(4-플루오로페닐)-2-페닐아세트산4-Piperidinol, 4-(4-fluorophenyl)-1-methyl-

관련 반응

481건
반응 기록 만들기
HRID 341 반응식
HRID 341반응물로750 AstraZeneca ELN dataset
HRID 342 반응식
HRID 342반응물로750 AstraZeneca ELN dataset
HRID 343 반응식
HRID 343반응물로750 AstraZeneca ELN dataset
HRID 461 반응식
HRID 461반응물로750 AstraZeneca ELN dataset
HRID 462 반응식
HRID 462반응물로750 AstraZeneca ELN dataset
HRID 463 반응식
HRID 463반응물로750 AstraZeneca ELN dataset
HRID 464 반응식
HRID 464반응물로750 AstraZeneca ELN dataset
HRID 465 반응식
HRID 465반응물로750 AstraZeneca ELN dataset
1 / 61 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기