CAS 207-11-4 Acenaphtho[1,2-b]quinoxaline (HCID 136028)

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Basic information

CAS: 207-11-4
Standard SMILES: c1cc2c3c(cccc3c1)-c1nc3ccccc3nc1-2
InChIKey: VRSLSEDOBUYIMM-UHFFFAOYSA-N
Molecular formula: C18H10N2
Average molar mass: 254.3 g/mol
Monoisotopic mass: 254.08439832

Names & identifiers

Preferred name: Acenaphtho[1,2-b]quinoxaline
IUPAC: acenaphthyleno[1,2-b]quinoxaline
English name: Acenaphtho[1,2-b]quinoxaline
Molecular formula: C18H10N2
Molecular weight: 254.29

Names & synonyms

Acenaphtho[1,2-b]quinoxaline207-11-4Acenaphtho(1,2-b)quinoxaline7,10-Diaza-8,9-benzoflotruranthene7,12-Diazabenzo(k)fluorantheneDTXSID909429007,10-Diaza-8,9-benzofluorantheneNSC 759687,12-Diazabenzo[k]fluorantheneRefChem:108754DTXCID101371283654-537-6

Show more names

Diazabenzi[k]fluoranthene7,12-Diazaenzo(k)fluoranthene7,12-Diazabenzi[k]fluorantheneACENAPHTHO[1,2-B]QUINOXALINE 99%Acenaphtho[1,2-b]quinoxaline,99%2,3-(Naphthalene-1,8-diyl)quinoxaline

VRSLSEDOBUYIMM-UHFFFAOYSA-Nacenaphthyleno[1,2-b]quinoxalineNSC759687,9-benzofluoranthene7,9-benzoflotrurantheneSCHEMBL824394SCHEMBL31187046NSC-75968

Database identifiers

CAS: 207-11-4
PubChem CID: 136028
DTXSID: DTXSID90942900
EC Number: 654-537-6
Nikkaji: J79.500C

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 20
Formal charge: 0
Complexity: 348

Physicochemical properties

Melting point: 239 · 239-242 °C
Boiling point: 387.5 °C · 387.5°C (rough estimate)
Density: 0.9835 · 0.9835 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
pka: 0.59 · 0.59±0.30(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H315-H335-H413-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety Statements: 24 · 24/25

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
safety_code: 24/25
Hazard statements: H302-H315-H335-H413-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362