11-Thiabenzo[a]fluoren

Benzo(b)naphtho(2,1-d)thiophene

HCID 9198CAS 239-35-0
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Grundinformationen

Standard-SMILES
c1ccc2c(c1)ccc1c3ccccc3sc21
InChIKey
YEUHHUCOSQOCIX-UHFFFAOYSA-N
Summenformel
C16H10S
Durchschnittliche Molmasse
234,3 g/mol
Monoisotopische Masse
234,05032132

Überblick

Benzo[b]naphtho[2,1-d]thiophene is an organic heterotricyclic compound and an organosulfur heterocyclic compound.

Namen und Bezeichner

Bevorzugter Name
Benzo(b)naphtho(2,1-d)thiophene
IUPAC
naphtho[1,2-b][1]benzothiole
Lokaler Name
11-Thiabenzo[a]fluoren
Englischer Name
Benzo(b)naphtho(2,1-d)thiophene
Summenformel
C16H10S
Molmasse
234.32

Namen und Synonyme

Benzo[b]naphtho[2,1-d]thiophene239-35-01,2-Benzo-9-thiafluoreneBenzo(a)dibenzothiopheneBENZO(B)NAPHTHO(2,1-D)THIOPHENE11-Thiabenzo(a)fluoreneNaphtho(1,2-b)thianaphtheneBenzo[a]dibenzothiopheneNaphtho[1,2-b]thianaphtheneTSV456A44DNSC-89259DTXSID8075205
Weitere Namen anzeigen
Zavegepant Impurity 53,4-BenzodibenzothiopheneBENZO[B]NAPHTHO[2,1-D]THIOPHBENZO(B)NAPH(2,1-D)THIOPHENEBENZONAPHTHO(2,1-D)THIOPHENE
RefChem:565138DTXCID1036961205-948-01,2-Benzodiphenylene sulfidenaphtho[1,2-b][1]benzothioleMFCD00010043CCRIS 4012EINECS 205-948-0

Datenbank-Bezeichner

CAS
239-35-0
PubChem CID
9198
DTXSID
DTXSID8075205
ChEBI
CHEBI:177498
UNII
TSV456A44D
EC Number
205-948-0
Nikkaji
J193.685I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,6
Polarare Oberfläche (TPSA)
28,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physikochemische Eigenschaften

Schmelzpunkt
188 · 188-190 °C (lit.)
Siedepunkt
434.3 · 434.3±14.0 °C(Predicted)
Dichte
1.292 · 1.292±0.06 g/cm3(Predicted)
Löslichkeit
2.5 %, · chloroform: soluble2.5%, clear to very slightly hazy, colorless to faint yellow or tan
Aggregatzustand
solid
InChI
1S/C16H10S/c1-2-6-12-11(5-1)9-10-14-13-7-3-4-8-15(13)17-16(12)14/h1-10H

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazards Summary · 1 Eintrag

There is no data available on cancer in humans. There is limited evidence of carcinogenicity in experimental animals. Benzo(b)naphtho(2,1-d)thiophene is not classifiable as to its carcinogenicity in humans. [IARC, Vol. 103, 2013] May cause skin and eye irritation; [MSDSonline] Classified as a heterocyclic aromatic compound; [HSDB] See POLYCYCLIC AROMATIC HYDROCARBONS.

Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Carcinogen Classification · 5 Einträge

Benzo[b]naphtho[2,1-d]thiophene

Group 3: Not classifiable as to its carcinogenicity to humans

Volume 103: (2013) Bitumens and Bitumen Emissions, and some N- and S-Heterocyclic Aromatic Hydrocarbons

2013

2011

Sicherheitsdaten

wgk
3
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden1,2-Benzodiphenylene sulfide has been used in direct screening of sediment samples for polycyclic aromatic hydrocarbons by flow manifold coupled on-line to a fluorimetric detector.

Anbieter17 Anbieter

Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
宇瑞（上海）化学有限公司02150456736 18602143071 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]

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