Basic information
- CAS
17135-74-9- Standard SMILES
Brc1cccc2cccc(Br)c12- InChIKey
DLXBGTIGAIESIG-UHFFFAOYSA-N- Molecular formula
- C10H6Br2
- Average molar mass
- 285.96 g/mol
- Monoisotopic mass
- 283.88363
Names & identifiers
- Preferred name
- 1,8-Dibromonaphthalene
- IUPAC
- 1,8-dibromonaphthalene
- English name
- 1,8-Dibromonaphthalene
- Molecular formula
- C10H6Br2
- Molecular weight
- 285.96
Names & synonyms
1,8-Dibromonaphthalene17135-74-9DTXSID80347743RefChem:417892DTXCID10298815803-137-11,8-dibromonaphtalene1,8-DIBROMO-NAPHTHALENEMFCD00183574Naphthalene, 1,8-dibromo-1,8-Dibromonaphthalene #SCHEMBL1187339
Show more names
CASC1,8-DBN1,8-dibromonalene8-DIBROMONAPHTALENE1,8-DibromonaphthaL1,8-dibroMophthalene1,8-dibromonaphthyleneNaphthalene,1,8-dibromo-
AKOS015903753CS-W002485AS-19094SY019521EN300-6473453AMY18519FT-0607039A811320
Database identifiers
- CAS
17135-74-9- PubChem CID
- 625356
- DTXSID
DTXSID80347743- EC Number
- 803-137-1
- Nikkaji
- J82.587E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 108 to · 108.0 to 112.0 °C
- Boiling point
- 140 °C/0.1mmHg · 140°C/0.1mmHg(lit.)
- Density
- 1.834 · 1.834±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Toluene
- form
- powder or crystals
- color
- White to Yellow to Green
- InChI
- InChI=1S/C10H6Br2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
- InChIKey
- DLXBGTIGAIESIG-UHFFFAOYSA-N
- SMILES
- C1(Br)=C2C(C=CC=C2Br)=CC=C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H411
- Precautionary statements
- 273 · P273-P301+P312+P330
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H411 (97.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)；Aquatic Chronic 2 (97.7%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29039990
- risk_code
- 22-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 61
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H411
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Preparation methods
Preparation1,8-dibromonaphthalene was prepared by diazotisation of triazine 1 with sodium nitrite in sulfuric acid, followed by the addition of CuBr/HBr in 44% yield, and cyanation of the dibromide (5) by Weissman’s method gave naphthalene-1,8-dicarbonitrile (4) in 78% yield (Scheme 2).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
BAYNOE CHEM CO.,LTD+86-21-34783353 +8615000719740 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Related reactions
1 records
Compound notes
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