m-Phenoxybenzaldehyd

3-Phenoxybenzaldehyde

HCID 38284CAS 39515-51-0
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Grundinformationen

Standard-SMILES
O=Cc1cccc(Oc2ccccc2)c1
InChIKey
MRLGCTNJRREZHZ-UHFFFAOYSA-N
Summenformel
C13H10O2
Durchschnittliche Molmasse
198,22 g/mol
Monoisotopische Masse
198,06807956

Überblick

3-phenoxybenzaldehyde has been reported in Streptomyces aureus with data available.

Namen und Bezeichner

Bevorzugter Name
3-Phenoxybenzaldehyde
IUPAC
3-phenoxybenzaldehyde
Lokaler Name
m-Phenoxybenzaldehyd
Englischer Name
3-Phenoxybenzaldehyde
Summenformel
C13H10O2
Molmasse
198.22

Namen und Synonyme

3-PHENOXYBENZALDEHYDE39515-51-0m-PhenoxybenzaldehydeBenzaldehyde, 3-phenoxy-m-(Phenyloxy)benzaldehydeDTXSID3028005DTXCID8080052ZI2173196RefChem:504775254-487-13-Phenoxy-benzaldehyde3-Formyldiphenyl Ether
Weitere Namen anzeigen
META PHENOXY BENZALDEHYE3-PhenoxybenzaLAKOS BBS-00003181Phenoxybenzaldehyde3-Phenoxy-benzaldehy3-phenoxy-benzaldehydM-PHENOXY BENZALDEHYDE
MFCD000033535-phenoxybenzaldehydeUNII-2ZI2173196SCHEMBL98478PHENOXYBENZALDEHYDE, 3-MRLGCTNJRREZHZ-UHFFFAOYSA-DS-0482AC-10909

Datenbank-Bezeichner

CAS
39515-51-0
PubChem CID
38284
DTXSID
DTXSID3028005
ChEMBL
CHEMBL22531
UNII
2ZI2173196
EC Number
254-487-1
Nikkaji
J324G

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Aromatic Compounds
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
LogP3.38
Vapor Pressure0.000164 [mmHg]
Physical DescriptionYellow liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
13 °C · 13 °C
Siedepunkt
169 · 169-169.5 °C11 mm Hg(lit.)
Dichte
1.147 g/mL · 1.147 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.595(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P271, P273, P280, P284, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 134 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzaldehyde, 3-phenoxy-

Status: Cease Manufacture Update: 02-12-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2116

3-Phenoxybenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes somnolence, dyspnea, and salivary gland changes in inhalation lethal-concentration studies of rats; Causes CNS effects in 17-week inhalation study of rats; [RTECS] An irritant; Toxic by ingestion; May be fatal by inhalation; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLC50 (rat) = 270 mg/m3/4hr

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN2810 - class 6.1 - PG 3 - EHS - Toxic, liquids, organic, n.o.s., HI: all
hs_code
29124900
RTECS-Nr.
CU7560200
risk_code
22-26

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationBenzaldehyde, 3-phenoxy-: ACTIVE

Anwendungen

Verwenden3-phenoxybenzaldehyde is an important intermediate for the synthesis of pyrethroid pesticides phenothrin, cypermethrin, deltamethrin,fenvalerate, fenpropathrin, flucythrinate, cyhalothrin, etc.

Darstellung · 1 Eintrag

synthetischeSynthesis of 3-Phenoxybenzaldehyde: 3-phenoxybenzoic acid is generated by catalytic oxidation of 3-phenoxytoluene, followed by electrolytic reduction to obtain Phenoxybenzyl alcohol , and then selective oxidation with sodium hypochlorite to obtain 3-Phenoxybenzaldehyde.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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