1-Bromo-5-nitronaphthalene

HCID 219988

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Basic information

CAS: 5328-76-7
Standard SMILES: O=[N+]([O-])c1cccc2c(Br)cccc12
InChIKey: OTYRDQXZRJZHOX-UHFFFAOYSA-N
Molecular formula: C10H6BrNO2
Average molar mass: 252.06 g/mol
Monoisotopic mass: 250.95819

Names & identifiers

Preferred name: 1-Bromo-5-nitronaphthalene
IUPAC: 1-bromo-5-nitronaphthalene
English name: 5-bromo-1-nitro-naphthalene
Molecular formula: C10H6BrNO2
Molecular weight: 252.06

Names & synonyms

1-Bromo-5-nitronaphthalene5328-76-7Naphthalene, 1-bromo-5-nitro-5-Bromo-1-nitronaphthaleneDTXSID60277372RefChem:75147DTXCID50228530621-666-4InChI=1/C10H6BrNO2/c11-9-5-1-4-8-7(9)3-2-6-10(8)12(13)14/h1-6OTYRDQXZRJZHOX-UHFFFAOYSA-N5-BROMO-1-NITRO-NAPHTHALENEMFCD00156397

Show more names

1-Bromo-5-nitronaphthalene96%

1-bromo-5-nitro-naphthalene5-Nitro-1-bromonaphthaleneNSC1993SCHEMBL2963038SCHEMBL29643206FAA32876NSC-1993SBB101051

Database identifiers

CAS: 5328-76-7
PubChem CID: 219988
DTXSID: DTXSID60277372
EC Number: 621-666-4
Nikkaji: J103.512F

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 229

Physicochemical properties

Melting point: 121 °C · 121 °C
Boiling point: 363.8 · 363.8±17.0 °C(Predicted)
Density: 1.662 · 1.662±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder
color: Light brown to brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H318 (97.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.