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

HCID 9151

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Basic information

CAS: 205-43-6
Standard SMILES: c1ccc2c(c1)ccc1sc3ccccc3c12
InChIKey: XZUMOEVHCZXMTR-UHFFFAOYSA-N
Molecular formula: C16H10S
Average molar mass: 234.3 g/mol
Monoisotopic mass: 234.05032149

Overview

structure given in first source

Names & identifiers

Preferred name: Benzo(b)naphtho(1,2-d)thiophene
IUPAC: naphtho[2,1-b][1]benzothiole
English name: Benzo(b)naphtho(1,2-d)thiophene
Molecular formula: C16H10S
Molecular weight: 234.32

Names & synonyms

Benzo[b]naphtho[1,2-d]thiophene205-43-6Benzo(b)naphtho(1,2-d)thiopheneDTXSID4075370RefChem:118189DTXCID90363091,2-BNTnaphtho[2,1-b][1]benzothioleMFCD002159423,4-Benzo-9-thiafluoreneNaphtho(2,1-b)thianaphtheneNaphtho[2,1-b]thianaphthene

Show more names

7-thiabenzo(c)fluoreneBENZO[B]NAPHTHO[1,2-D]THnaphtho[2,1-b]benzothiopheneBENZO[B]NAPHTHO[1,2-D]THIOPHBenzo[b]naphtho[1,2]thiophene

BENZO (b) NAPHTHO (1,2-d) THIOPHENE (purity)AKOS027382113SY055845F16260BRN 00096357-Thia-7H-benzo[c]fluoreneA8550485-17-02-00434 (Beilstein Handbook Reference)

Database identifiers

CAS: 205-43-6
PubChem CID: 9151
DTXSID: DTXSID4075370
Nikkaji: J104.296C

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 287

Experimental & physicochemical properties

LogP5.19

Physicochemical properties

Melting point: 185 ℃ · 185℃ (acetic acid )
Boiling point: 220 °C/0.2mmHg · 220°C/0.2mmHg(lit.)
Density: 1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
color: White to Orange to Green
λmax: 351 nm · 351nm(CHCl3)(lit.)
BRN: 9635 · 9635
InChI: InChI=1S/C16H10S/c1-2-6-12-11(5-1)9-10-15-16(12)13-7-3-4-8-14(13)17-15/h1-10H
InChIKey: XZUMOEVHCZXMTR-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1C1=C3C(C=CC=C3)=CC=C1S2
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 1 · Benzo[b]naphtho[1,2-d]thiophene (205-43-6)
RTECS: 2340000 · DI2340000
HS Code: 2934.99 · 2934.99.4400

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

rtecs: DI2340000
hs_code: 2934.99.4400

Chemistry & industry

Upstream & downstream products

Downstream products

Benzo(b)naphtho(2,3-d)thiophene

Suppliers100 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]

杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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