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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 7376생성일: 2026년 10월 26일

하이드록시벤조트리플로라이드

알파,알파,알파-트라이플루오로-m-크레졸 · 하이드록시벤조트리플로라이드 · 알파, 알파, 알파-트라이플루오로-m-크레졸 · 3-트리플루오로메틸페놀 · 3-(TRIFLUOROMETHYL)PHENOL · 3-HYDROXYBENZOTRIFLUORIDE · M-TRIFLUOROMETHYLPHENOL · META-HYDROXYBENZOTRIFLUORIDE

https://huagongshe.com/ko/chemical/7376

하이드록시벤조트리플로라이드 분자 구조식

식별자 및 물리적 특성

CAS No.98-17-9
분자식C7H5F3O
평균 분자량162.11 g/mol
단동위원소 질량162.02924926 g/mol
SMILESOc1cccc(C(F)(F)F)c1
InChIKeyUGEJOEBBMPOJMT-UHFFFAOYSA-N
PubChem CID7376
ChEMBLCHEMBL57877
ChEBICHEBI:195128
EC No.202-645-5
DTXSIDDTXSID7052658
현지명하이드록시벤조트리플로라이드

화학 및 물리적 성질

XLogP3
극성 표면적20.2
수소 결합 공여자 수1
수소 결합 수용자 수4
회전 가능 결합 수0
무거운 원자 수11
형식 전하0
복잡도132
Ionization EfficiencyNegative2.7110.5Agilent 6495Electrospray ionizationammonia (10nM)
Collision Cross Section121.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7052658]
녹는점−2-−1.8 °C(lit.)
끓는 점178-179 °C(lit.)
밀도1.333 g/mL at 25 °C(lit.)
증기압0.56 mm Hg ( 40 °C)
굴절률n20/D 1.458(lit.)
인화점165 °F
저장 조건Inert atmosphere,Room Temperature
물리적 상태액체
pKa(산도 계수)8.68(at 25℃)
색상맑은 노란색
용해도불용성
BRN2045663
InChI1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKeyUGEJOEBBMPOJMT-UHFFFAOYSA-N
SMILESOc1cccc(c1)C(F)(F)F
LogP(분배 계수)2.95 at 25℃
NISTPhenol, 3-(trifluoromethyl)-(98-17-9)
EPA3-(Trifluoromethyl)phenol (98-17-9)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 0.8% (1 of 124) of reports.DangerH301 (31.5%): Toxic if swallowed [Danger Acute toxicity, oral]H302 (33.9%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (37.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (66.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (33.1%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (29%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (31.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (32.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (62.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 124 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 124 reports by companies.There are 14 notifications provided by 123 of 124 reports by companies with hazard statement code(s).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.
규제 정보Chemical: Phenol, 3-(trifluoromethyl)-Status: Active Update: 22-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5566
Hazard Classes and CategoriesAcute Tox. 3 (31.5%)Acute Tox. 4 (33.9%)Acute Tox. 4 (37.9%)Skin Corr. 1 (66.1%)Skin Irrit. 2 (33.1%)Eye Dam. 1 (29%)Eye Irrit. 2 (31.5%)STOT SE 3 (32.3%)Aquatic Chronic 3 (62.1%)
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호GP3510000
관세 코드29081990
위험 문구(R)37/38-41-34-24/25-36/37/38
위험 표시Xi,T
안전 문구(S)26-39-45-36/37/39
위험 등급8Eye Irrit. 2Skin Irrit. 2STOT SE 3
위험 참고 사항Irritant
저장 분류10 - Combustible liquids