4-(Trifluoromethyl)benzenemethanol (HCID 67684)

이름 및 식별자

우선 이름: 4-(Trifluoromethyl)benzenemethanol
IUPAC: [4-(trifluoromethyl)phenyl]methanol
영어명: 4-(Trifluoromethyl)benzyl alcohol
분자식: C8H7F3O
분자량: 176.14

이름 및 동의어

4-(Trifluoromethyl)benzyl alcohol349-95-14-(trifluoromethyl)benzenemethanolDTXSID40188457Para-(trifluoromethyl)benzyl alcoholRefChem:517138DTXCID70110948206-494-6[4-(Trifluoromethyl)phenyl]methanol(4-(trifluoromethyl)phenyl)methanolp-Trifluoromethylbenzyl alcoholMFCD00004661

이름 더 보기

TFMP2OPTF-BYLRARECHEM AL BD 01114-(Trifluoromethyl)Benzylp-Trifluoromethylbenzyl alchol4-(Trifluoromethyl) benzylalcholP-(TRIFLUOROMETHYL)BENZYL ALCOHOL

4-(Trifluoromethyl)benzylic alcoholBenzenemethanol, 4-(trifluoromethyl)-4-hydroxymethylbenzotrifluoride(4-Trifluoromethyl-phenyl)-methanol4-trifluoromethylbenzyl alcohol4-trifluoromethyl benzene methanol[4-(trifluoromethyl)phenyl]methan-1-olCCRIS 5117

데이터베이스 식별자

CAS: 349-95-1
PubChem CID: 67684
DTXSID: DTXSID40188457
ChEBI: CHEBI:156310
EC Number: 206-494-6
Nikkaji: J150.012K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 136

물리화학적 성질

녹는점: 22 · 22-25 °C
끓는 점: 78 · 78-80 °C/4 mmHg (lit.)
밀도: 1.286 g/mL · 1.286 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.459(lit.)
인화점: 213 °F · 213 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 녹은 후에 액체
산도 계수 (pKa): 13.91 · 13.91±0.10(Predicted)
Specific Gravity: 1.286 · 1.286
색상: 투명한 무색~연한 갈색
수용성: 물에 용해됩니다.
BRN: 1450174 · 1450174
InChI: InChI=1S/C8H7F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4,12H,5H2
InChIKey: MOOUWXDQAUXZRG-UHFFFAOYSA-N
SMILES: C1(CO)=CC=C(C(F)(F)F)C=C1
NIST: 4 · 4-(Trifluoromethyl)benzyl alcohol(349-95-1)

화학적 성질

Colorless to light yellow liqui

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 (95.8%): 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 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (95.8%)

안전 데이터

wgk: 3
HS 번호: 29062900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: CORROSIVE
F 고인화성물질: 10-23
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도4-(Trifluoromethyl)benzyl alcohol, is used as a pharmaceutical intermediate, it is also used to predict the NMR spectrum. 4-(Trifluoromethyl)benzyl alcohol is employed as a reagent in, for example, kinetic studies of phosphonoformate prodrugs and aquachromium(IV).

일반 설명Photocatalytic oxidation of 4-(trifluoromethyl)benzyl alcohol to corresponding aldehydes on TiO2 photocatalyst under O2 atmosphere has been reported.