5-Fluoro-2-nitrobenzotrifluoride (HCID 223094)

이름 및 식별자

우선 이름: 5-Fluoro-2-nitrobenzotrifluoride
IUPAC: 4-fluoro-1-nitro-2-(trifluoromethyl)benzene
영어명: 5-Fluoro-2-nitrobenzotrifluoride
분자식: C7H3F4NO2
분자량: 209.1

이름 및 동의어

5-Fluoro-2-nitrobenzotrifluoride393-09-94-Fluoro-1-nitro-2-(trifluoromethyl)benzeneWMQOSURXFLBTPC-UHFFFAOYSA-DTXSID00278843RefChem:535849DTXCID80229999609-643-7InChI=1/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H2-Nitro-alpha,alpha,alpha,5-tetrafluorotoluene1-FLUORO-3-TRIFLUOROMETHYL-4-NITROBENZENEBENZENE, 4-FLUORO-1-NITRO-2-(TRIFLUOROMETHYL)-

이름 더 보기

NSC 10304TIMTEC-BB SBB009908TIMTEC-BB SBB009905-Fluoro-2-nitrobenz5-fluoro-2-nitrotrifluorotoluene5-Fluoro-2-nitro trifluoroMethyl5-Fluoro-2-nitrobenzotrifluorIide

MFCD00039741393-86-24-fluoro-2-(trifluoromethyl)nitrobenzene2-nitro-5-fluorobenzotrifluorideNSC10304SCHEMBL377777SCHEMBL297885205-fluoro-2-nitrobenzo-trifluoride

데이터베이스 식별자

CAS: 393-09-9
PubChem CID: 223094
DTXSID: DTXSID00278843
EC Number: 609-643-7
Nikkaji: J1.915.670B

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 0
무거운 원자 수: 14
형식 전하: 0
복잡도: 225

물리화학적 성질

녹는점: 23 °C · 23 °C (lit.)
끓는 점: 198 · 198-199 °C (lit.)
밀도: 1.497 g/mL · 1.497 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.46(lit.)
인화점: 192 °F · 192 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름과 메탄올에 용해됩니다.
물리적 상태: 투명한 액체
색상: Light yellow to Yellow to Orange
Specific Gravity: 1.497 · 1.497
BRN: 3304470 · 3304470
InChI: 1S/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChIKey: WMQOSURXFLBTPC-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(F)cc1C(F)(F)F

화학적 성질

clear yellow liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): 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 7 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 (16.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (16.7%)；STOT SE 3 (87.5%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29049090
risk_code: 36/37/38
hazard_code: Xi,F
safety_code: 26-36/37/39-37/39
포장분류: III
위험 등급: 6.1
위험 참고 사항: Flammable/Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도5-Fluoro-2-nitrobenzotrifluoride is a tri-substitiuted benzene derivative used in the preparation of androgen receptor modulators and other pharmaceutical compounds.

일반 설명5-Fluoro-2-nitrobenzotrifluoride is formed by the nitration of m-fluorobenzotrifluoride.