3-(Trifluoromethyl)phenol (HCID 7376)

이름 및 식별자

우선 이름: 3-(Trifluoromethyl)phenol
IUPAC: 3-(trifluoromethyl)phenol
현지명: 하이드록시벤조트리플로라이드
영어명: 3-Trifluoromethylphenol
분자식: C7H5F3O
분자량: 162.11

이름 및 동의어

3-(Trifluoromethyl)phenol98-17-93-Trifluoromethylphenol3-Hydroxybenzotrifluoridem-HydroxybenzotrifluoridePhenol, 3-(trifluoromethyl)-NSC-9884R2R9N38UDYDTXSID7052658RefChem:496410DTXCID8031231202-645-5

이름 더 보기

알파,알파,알파-트라이플루오로-m-크레졸하이드록시벤조트리플로라이드알파, 알파, 알파-트라이플루오로-m-크레졸3-트리플루오로메틸페놀META-HYDROXYBENZOTRIFLUORIDETIMTEC-BB SBB0083293-HydroxybenzotrifL3-Trifluoromethylphe,,-Trifluoro-m-cresolTravoprost Impurity 37Trovoprost impurity 17

alpha,alpha,alpha-Trifluoro-m-cresolm-(Trifluoromethyl)phenola,a,a-trifluoro-m-cresol5-TRIFLUOROMETHYLPHENOLm-trifluoromethylphenolMFCD00002299m-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-NSC 9884

데이터베이스 식별자

CAS: 98-17-9
PubChem CID: 7376
DTXSID: DTXSID7052658
ChEMBL: CHEMBL57877
ChEBI: CHEBI:195128
UNII: R2R9N38UDY
EC Number: 202-645-5
Nikkaji: J21.631C

물성

구조 계산 물성

XLogP: 3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

Ionization Efficiency · 6건

Negative

2.71

10.5

Agilent 6495

Electrospray ionization

ammonia (10nM)

Collision Cross Section121.3 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7052658]

물리화학적 성질

녹는점: 2 · −2-−1.8 °C(lit.)
끓는 점: 178 · 178-179 °C(lit.)
밀도: 1.333 g/mL · 1.333 g/mL at 25 °C(lit.)
증기압: 0.56 mm · 0.56 mm Hg ( 40 °C)
굴절률: 20 · n20/D 1.458(lit.)
인화점: 165 °F · 165 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 8.68 · 8.68(at 25℃)
색상: 맑은 노란색
수용성: 불용성
BRN: 2045663 · 2045663
InChI: 1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey: UGEJOEBBMPOJMT-UHFFFAOYSA-N
SMILES: Oc1cccc(c1)C(F)(F)F
LogP: 2.95 at · 2.95 at 25℃
NIST: 3 · Phenol, 3-(trifluoromethyl)-(98-17-9)
EPA: 3 · 3-(Trifluoromethyl)phenol (98-17-9)

화학적 성질

Clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.8% (1 of 124) of reports.

Danger

H301 (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 exposure; Respiratory 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.

유해성 정보

Regulatory Information · 2건

Chemical: 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%)

규제 정보

Regulatory Information · 2건

Chemical: Phenol, 3-(trifluoromethyl)-

Status: Active Update: 22-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5566

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: GP3510000
HS 번호: 29081990
risk_code: 37/38-41-34-24/25-36/37/38
hazard_code: Xi,T
safety_code: 26-39-45-36/37/39
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 3-(trifluoromethyl)-: ACTIVE

상·하류 제품 정보

하류 제품

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海创欣化学有限公司021-54253545

연결된 노트

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