1-[4-(트리플루오로메틸)페닐]에탄올

1-[4-(Trifluoromethyl)phenyl]ethan-1-ol

HCID 137186CAS 1737-26-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(O)c1ccc(C(F)(F)F)cc1
InChIKey: YMXIDIAEXNLCFT-UHFFFAOYSA-N
분자식: C9H9F3O
평균 분자량: 190.16 g/mol
단동위원소 질량: 190.06054939

이름 및 식별자

우선 이름: 1-[4-(Trifluoromethyl)phenyl]ethan-1-ol
IUPAC: 1-[4-(trifluoromethyl)phenyl]ethanol
현지명: 1-[4-(트리플루오로메틸)페닐]에탄올
영어명: 1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
분자식: C9H9F3O
분자량: 190.16

이름 및 동의어

1-[4-(trifluoromethyl)phenyl]ethan-1-ol1-(4-(trifluoromethyl)phenyl)ethan-1-olDTXSID30938423RefChem:428931DTXCID90896914642-857-91-[4-(Trifluoromethyl)phenyl]ethanol1737-26-41-(4-(Trifluoromethyl)phenyl)ethanolMFCD00039618A-Methyl-4-trifluoromethylbenzyl alcoholSCHEMBL342466

이름 더 보기

1-[4-(트리플루오로메틸)페닐]에탄올1-(4-trifluorophenyl)ethanol1-[4-(Trifluoromethyl)phenyl]thanol-Methyl-4-trifluoromethylbenzylalcoholα-Methyl-4-trifluoromethylbenzylalcohol1-4-(Trifluoromethyl)phenylüethanol, 97%à-methyl-4-(trifluoromethyl)benzyl alcohol4-(Trifluoromethyl)-α-methylbenzyl alcohol

1-(4-trifluoromethylphenyl)-ethanolBenzenemethanol, alpha-methyl-4-(trifluoromethyl)-1-(4-trifluoromethyl-phenyl)-ethanolAKOS000249264alpha-Methyl-4-(trifluoromethyl)benzyl alcohol1-[4-(triSCHEMBL1046560SCHEMBL4289073

데이터베이스 식별자

CAS: 1737-26-4
PubChem CID: 137186
DTXSID: DTXSID30938423
EC Number: 642-857-9
Nikkaji: J410.604K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 159

물리화학적 성질

끓는 점: 106 · 106-107 °C8 mm Hg(lit.)
밀도: 1.237 g/mL · 1.237 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.458(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.98 · 13.98±0.20(Predicted)
Specific Gravity: 1.2371 · 1.2371.249
BRN: 2257808 · 2257808
InChI: InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3
InChIKey: YMXIDIAEXNLCFT-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)C=CC(C(O)C)=CC=1

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 8 reports by companies from 4 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.