2-플루오로-5-(트리플루오로메틸)아닐린

2-Fluoro-5-(trifluoromethyl)aniline

HCID 136349CAS 535-52-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1cc(C(F)(F)F)ccc1F
InChIKey: DRKWGMXFFCPZLW-UHFFFAOYSA-N
분자식: C7H5F4N
평균 분자량: 179.11 g/mol
단동위원소 질량: 179.03581181

이름 및 식별자

우선 이름: 2-Fluoro-5-(trifluoromethyl)aniline
IUPAC: 2-fluoro-5-(trifluoromethyl)aniline
현지명: 2-플루오로-5-(트리플루오로메틸)아닐린
영어명: 2-Fluoro-5-(trifluoromethyl)aniline
분자식: C7H5F4N
분자량: 179.11

이름 및 동의어

2-Fluoro-5-(trifluoromethyl)anilineRefChem:472461626-503-0535-52-43-Amino-4-fluorobenzotrifluoridealpha,alpha,alpha,6-Tetrafluoro-m-toluidineMFCD000076532-Fluoro-5-trifluoromethylaniline2-fluoro-5-(trifluoromethyl)phenylamine.alpha.,.alpha.,.alpha.,6-Tetrafluoro-m-toluidineBenzenamine, 2-fluoro-5-(trifluoromethyl)-3-Amino-4-fluorobenzotrifluoride; NSC 10327; alpha,alpha,alpha,6-Tetrafluoro-m-toluidine

이름 더 보기

2-플루오로-5-(트리플루오로메틸)아닐린uoro-5-(trifLα,α,α,6-Tetrafluoro-m-toluidine4-FLUORO-3-AMINOBENZOTRIFLUORIDE3－amino－4－fluorobentozrifluoride3-amino-4-fluoro bensotrifluoride3-Amino-4-fluorobenzotrifluoride97%3-Amino-4-fluorobenzotrifluoride 97%4-FLUORO-3-AMINOBENZOTRIFLUORIDE 97%

NSC103272-fluoro-5-(trifluoromethyl)benzenamineSCHEMBL3094792-fluoro-5-trifluoromethylanilina,a,a,6-Tetrafluoro-m-toluidineDTXSID802017102-fluoro-5-trifloromethyl aniline2-fluoro-5-trifluoromethyl aniline

데이터베이스 식별자

CAS: 535-52-4
PubChem CID: 136349
DTXSID: DTXSID80201710
EC Number: 626-503-0
Nikkaji: J149.710C

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 156

물리화학적 성질

끓는 점: 155 °C · 155 °C (lit.)
밀도: 1.378 g/mL · 1.378 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.461(lit.)
인화점: 158 °F · 158 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 1.98 · 1.98±0.10(Predicted)
물리적 상태: 기름
색상: 투명 무색
Specific Gravity: 1.378 · 1.378
BRN: 1950800 · 1950800
InChI: InChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChIKey: DRKWGMXFFCPZLW-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC=C1F
NIST: 6 · Alpha,alpha,alpha,6-tetrafluoro-m-toluidine(535-52-4)

화학적 성질

clear yellow to orange liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (91.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87%): 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 46 reports by companies from 5 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 (100%)；Acute Tox. 4 (91.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (87%)

안전 데이터

wgk: 3
ridadr: UN2810/6.1/II
HS 번호: 29214200
risk_code: 20/21/22-36/37/38-23-21/22
hazard_code: Xn,Xi,T
safety_code: 26-36/37-45-36/37/39
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids