4-Bromo-3-fluoroaniline (HCID 821848)

이름 및 식별자

우선 이름: 4-Bromo-3-fluoroaniline
IUPAC: 4-bromo-3-fluoroaniline
영어명: 3-Fluoro-4-broMoaniline
분자식: C6H5BrFN
분자량: 190.01

이름 및 동의어

4-Bromo-3-fluoroaniline656-65-5DTXSID00356332RefChem:290849DTXCID70307391628-120-44-Bromo-3-fluorophenylamine3-fluoro-4-bromoaniline4-BROMO-3-FLUORO ANILINE4-bromo-3-fluorobenzenamineMFCD00672933Benzenamine, 4-bromo-3-fluoro-

이름 더 보기

4-Bromo-3-fluoroanil3-Fluoro-4-broMoanilin4-Bromo-3-fluoroaniline98%4-Bromo-3-fluoroaniline >4-BroMo-3-fluoroaniline, 97+%4 - broMine - 3 - fluoro aniline

4-bromo-3-fluoro-aniline4-Bromo-3-fluoro-phenylamineTedizolid Impurity AAKOS005258570CS-W008647AC-3655PS-8398B2102

데이터베이스 식별자

CAS: 656-65-5
PubChem CID: 821848
DTXSID: DTXSID00356332
UNII: RTR8SB3SWD
EC Number: 628-120-4
Nikkaji: J2.616.810D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99

물리화학적 성질

녹는점: 72 · 72-73°C
끓는 점: 65 · 65-68 °C (lit.)
밀도: 0.982 g/mL · 0.982 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.471(lit.)
인화점: 105 °F · 105 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 에 용해됨아세토니트릴, 메탄올
물리적 상태: 결정성 분말
산도 계수 (pKa): 2.88 · 2.88±0.10(Predicted)
색상: 노란색에서 황갈색까지
수용성: 아세토니트릴, 메탄올에 용해됩니다. 물에 불용성.
BRN: 3236457 · 3236457
InChI: InChI=1S/C6H5BrFN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
InChIKey: YTMVYYAKOPIJCZ-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(Br)C(F)=C1

화학적 성질

Beige to brown needles and crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (10.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10.4%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesAcute Tox. 4 (10.4%)；Acute Tox. 4 (10.4%)；Skin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；Acute Tox. 4 (10.4%)；STOT SE 3 (95.8%)

안전 데이터

wgk: 3
ridadr: UN2811
HS 번호: 29214200
risk_code: 36/37/38
hazard_code: Xi,T,Xn
safety_code: 26-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Bromo-3-fluoroaniline is a intermediate used for the synthetic preparation of Tradizolid and various pharmaceuticals such as the synthesis of several lateral difluoro-substituted 4,4"-dialkyl- and 4 ,4"-alkoxyalkylterphenyls.