2,5-Bis(trifluoromethyl)aniline (HCID 719818)

이름 및 식별자

우선 이름: 2,5-Bis(trifluoromethyl)aniline
IUPAC: 2,5-bis(trifluoromethyl)aniline
영어명: 2,5-Bis(trifluoromethyl)aniline
분자식: C8H5F6N
분자량: 229.12

이름 및 동의어

2,5-Bis(trifluoromethyl)aniline328-93-8DTXSID00352132RefChem:82719DTXCID90303198629-040-2UIWVOUBVGBJRNP-UHFFFAOYSA-N2,5-di(trifluoromethyl)aniline2,5-bis-(Trifluoromethyl)anilineMFCD000749402,5-bis-trifluoromethylaniline2,5-Bis(trifluoromethyl)-aniline

이름 더 보기

2,5-DI2,5-Bis(trifLTIMTEC-BB SBB0006912,5-Bis(trifluorometDutasteride Impurity 34Duetasteride impurity 132,5-BIS(TRIFLUOROMETHYL)AMILINE2,5-DIS(TRIFLUOROMETHYL)ANILINE

2,5-BIS(TRIFLUOROMETHYL)BENZENAMINE2,5-bis-trifluoromethyl-anilinealpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-2,5-xylidine2,5-bis(trifluoromethyl)phenylamine2,5-Bis (trifluoro methyl) anilineEN300-02439Z56896763alpha,alpha,alpha,alphaatrade mark,alphaatrade mark,alphaatrade mark-hexafluoro-2,5-Xylidine; 2,5-Bis(trifluoromethyl)aniline; 2,5-Bis(trifluoromethyl)benzenamine; 2,5-Di(trifluoromethyl)aniline; alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2,5-Xylidine

데이터베이스 식별자

CAS: 328-93-8
PubChem CID: 719818
DTXSID: DTXSID00352132
EC Number: 629-040-2
Nikkaji: J1.908.597J

물성

구조 계산 물성

XLogP: 3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 220

물리화학적 성질

끓는 점: 70 · 70-71 °C15 mm Hg(lit.)
밀도: 1.467 g/mL · 1.467 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.432(lit.)
인화점: 160 °F · 160 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 0.24 · 0.24±0.10(Predicted)
Specific Gravity: 1.467 · 1.467
색상: 투명 무색
BRN: 2653046 · 2653046
InChI: InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-5(6(15)3-4)8(12,13)14/h1-3H,15H2
InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N
SMILES: C1(N)=CC(C(F)(F)F)=CC=C1C(F)(F)F

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (78.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H373 (10.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, 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 56 reports by companies from 13 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 (91.1%)；Acute Tox. 4 (89.3%)；Skin Irrit. 2 (91.1%)；Eye Irrit. 2 (91.1%)；Acute Tox. 4 (89.3%)；STOT SE 3 (78.6%)；STOT RE 2 (10.7%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29214990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
safety_code: 26-36/37/39-45-36
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic/Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2,5-Bis(trifluoromethyl)aniline is a haloalkul substituted aniline used in the preparation of anti-benign prostatic hyperplasia drug, Dutasteride (D735000).