[1,1'-Biphenyl]-3-methanol, 2-methyl-

HCID 596875CAS 76350-90-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1c(CO)cccc1-c1ccccc1
InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N
Summenformel: C14H14O
Durchschnittliche Molmasse: 198,26 g/mol
Monoisotopische Masse: 198,10446507

Namen und Bezeichner

Bevorzugter Name: [1,1'-Biphenyl]-3-methanol, 2-methyl-
IUPAC: (2-methyl-3-phenylphenyl)methanol
Englischer Name: 2-Methyl-3-biphenylmethanol
Summenformel: C14H14O
Molmasse: 198.26

Namen und Synonyme

(2-Methyl-[1,1'-biphenyl]-3-yl)methanol[1,1'-Biphenyl]-3-methanol, 2-methyl-2-Methyl[1,1'-biphenyl]-3-methanol(1,1'-Biphenyl)-3-methanol, 2-methyl-{2-METHYL-[1,1'-BIPHENYL]-3-YL}METHANOLDTXSID30741012-Methyl(1,1'-biphenyl)-3-methanol(2-methyl-(1,1'-biphenyl)-3-yl)methanolRefChem:550932DTXCID5047873965-375-376350-90-8

Weitere Namen anzeigen

Bifenthrin alcohol2-methyl-3-biphenylmethyanolBiphenyl alcoholbiphenylmethyanol2-Methyl-3-biphenylm2-Methyl-3-phenylbenzyl Alcohol

2-Methyl-3-biphenylmethanol3-Hydroxymethyl-2-methylbiphenyl(2-methyl-3-phenylphenyl)methanol(2-Methyl-3-biphenylyl)methanol2-Methylbiphenyl-3-methanolMFCD00134200SCHEMBL358303CHEMBL4092122

Datenbank-Bezeichner

CAS: 76350-90-8
PubChem CID: 596875
DTXSID: DTXSID3074101
ChEMBL: CHEMBL4092122
EC Number: 965-375-3
Nikkaji: J383.005E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 184

Experimentelle und physikochemische Eigenschaften

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 73 · 73-76 °C(lit.)
Siedepunkt: 330.9 · 330.9±11.0 °C(Predicted)
Dichte: 1.072 · 1.072±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 14.28 · 14.28±0.10(Predicted)
Farbe: White to Off-White
InChI: InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=CC(CO)=C1C
CAS Datenbank: 76350 · 76350-90-8(CAS DataBase Reference)
EPA chemische Informationen: 1 · [1,1'-Biphenyl]-3-methanol, 2-methyl- (76350-90-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2906290090

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing Information[1,1'-Biphenyl]-3-methanol, 2-methyl-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung2-Methyl-3-biphenylmethanol is a pharmaceutical intermediate and organic chemical synthesis reagent, which can be used in the preparation of drugs such as Bifenthrin and PD-L1 inhibitors, and also in the synthesis of other organic compounds such as 2-methyl-3-phenylphenethylboronic acid pinacol ester, biphenyl-1,2,3-triazole couplings and biphenyl alcohols.

VerwendenBifenthrin intermediate.