α,α,α-Trifluor-m-kresol

3-(Trifluoromethyl)phenol

HCID 7376CAS 98-17-9
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
Oc1cccc(C(F)(F)F)c1
InChIKey
UGEJOEBBMPOJMT-UHFFFAOYSA-N
Summenformel
C7H5F3O
Durchschnittliche Molmasse
162,11 g/mol
Monoisotopische Masse
162,02924926

Namen und Bezeichner

Bevorzugter Name
3-(Trifluoromethyl)phenol
IUPAC
3-(trifluoromethyl)phenol
Lokaler Name
α,α,α-Trifluor-m-kresol
Englischer Name
3-Trifluoromethylphenol
Summenformel
C7H5F3O
Molmasse
162.11

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Ionization Efficiency · 6 Einträge

Negative

2.71

10.5

Agilent 6495

Electrospray ionization

ammonia (10nM)

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

Physikochemische Eigenschaften

Schmelzpunkt
2 · −2-−1.8 °C(lit.)
Siedepunkt
178 · 178-179 °C(lit.)
Dichte
1.333 g/mL · 1.333 g/mL at 25 °C(lit.)
Dampfdruck
0.56 mm · 0.56 mm Hg ( 40 °C)
Brechungsindex
20 · n20/D 1.458(lit.)
Flammpunkt
165 °F · 165 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Phenol, 3-(trifluoromethyl)-

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

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29081990
RTECS-Nr.
GP3510000
risk_code
37/38-41-34-24/25-36/37/38
hazard_code
Xi,T

Chemie und Industrie

Verwendung und Herstellung

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

Vor- und nachgelagerte Produkte

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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

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