1-Bromonaphthalene-2-carbaldehyde

HCID 76909CAS 3378-82-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1ccc2ccccc2c1Br
InChIKey: CYGUXEZVBLMVRV-UHFFFAOYSA-N
Molecular formula: C11H7BrO
Average molar mass: 235.08 g/mol
Monoisotopic mass: 233.96802694

Names & identifiers

Preferred name: 1-Bromonaphthalene-2-carbaldehyde
IUPAC: 1-bromonaphthalene-2-carbaldehyde
English name: 1-BROMO-2-NAPHTHALDEHYDE
Molecular formula: C11H7BrO
Molecular weight: 235.08

Names & synonyms

3378-82-31-Bromonaphthalene-2-carbaldehyde1-bromo-2-naphthalenecarboxaldehydeEINECS 222-180-1DTXSID60187442RefChem:430771DTXCID70109933222-180-11-bromo-2-naphthaldehydeMFCD000463682-Naphthalenecarboxaldehyde, 1-bromo-1-bromo-2-naphtaldehyde

Show more names

1-Bromo-2-naphthal1-broMo-2-phthaldehyde1-Bromo-2-naphthaldehyde >1-BROMO-2-NAPHTHALDEHYDE 96+%1-Bromo-2-naphthalenecarbaldehyde1-bromo-2-naphthaldehyde crystalline

SCHEMBL9504361-bromo-naphthalene-2-carbaldehydeCS-W004895SB66995AC-27834AS-186401-BromonaphthaleFT-0634812

Database identifiers

CAS: 3378-82-3
PubChem CID: 76909
DTXSID: DTXSID60187442
EC Number: 222-180-1
Nikkaji: J205.466C

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 193

Physicochemical properties

Melting point: 118 °C · 118°C
Boiling point: 347 ℃ · 347℃
Density: 1.552 · 1.552
Flash point: 120 ℃ · 120℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: soluble in Methanol
form: crystals
Appearance: Off-white to yellow Solid
BRN: 2613639 · 2613639
InChI: InChI=1S/C11H7BrO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
InChIKey: CYGUXEZVBLMVRV-UHFFFAOYSA-N
SMILES: C1(Br)=C2C(C=CC=C2)=CC=C1C=O
CAS DataBase Reference: 3378 · 3378-82-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29130000 · 29130000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
hs_code: 29130000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-Bromo-2-naphthaldehyde is used as a reagent in the synthesis of Hoveyda-Grubbs type metathesis catalysts which are used in cross olefin metathesis. 1-Bromo-2-naphthaldehyde is also used in the preparation of novel (-)-cercosporamide derivatives as potent selective PPARγ modulators.