2,2'-Dibromo-1,1'-binaphthyl
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Basic information
- CAS
74866-28-7- Standard SMILES
Brc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12- InChIKey
IJUDEFZBMMRSNM-UHFFFAOYSA-N- Molecular formula
- C20H12Br2
- Average molar mass
- 412.1 g/mol
- Monoisotopic mass
- 409.93058
Names & identifiers
- Preferred name
- 2,2'-Dibromo-1,1'-binaphthyl
- IUPAC
- 2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene
- English name
- 2,2'-Dibromo-1,1'-binaphthyl
- Molecular formula
- C20H12Br2
- Molecular weight
- 412.12
Names & synonyms
74866-28-72,2'-DIBROMO-1,1'-BINAPHTHYLDTXSID60347302RefChem:440257DTXCID50298374626-733-1150024-49-02,2'-Dibromo-1,1'-binaphthalene86688-08-62,2-dibromo-1,1-binaphthyl(1S)-2,2'-Dibromo-1,1'-binaphthalene(1R)-2,2'-Dibromo-1,1'-binaphthalene
Show more names
SKL192JACS-74866-28-7Binaphthalene dibromide2,2'-diboromo-binaphthyl2,2`-DibroMo-1,1`-Binaphtyl1,1'-Bi(2-bromonaphthalene)2,2'-Dibromo-1,1'-binapthyl2,2'-DIBROMO-1,1'-DINAPHTHYL
2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene(S)-2,2'-Dibromo-1,1'-binaphthaleneMFCD00188005(R)-2,2'-Dibromo-1,1'-binaphthalene1,1'-Binaphthalene, 2,2'-dibromo-()-2,2-Dibromo-1,1-binaphthyl(+/-)-2,2-Dibromo-1,1-Binaphthyl2-bromo-1-(2-bromo-1-naphthyl)naphthalene
Database identifiers
- CAS
74866-28-7- PubChem CID
- 619909
- DTXSID
DTXSID60347302- EC Number
- 626-733-1
- Nikkaji
- J134.905H、J2.936.462A
Properties
Computed structural propertiesFilling in
- XLogP
- 7.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 178 · 178-183 °C
- Boiling point
- 178 · 178-183°C
- Density
- 1.614 · 1.614±0.06 g/cm3(Predicted)
- Flash point
- 178 · 178-183°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Toluene
- form
- Powder
- color
- white to off-white
- Water Solubility
- Sparingly Soluble in water.
- InChI
- 1S/C20H12Br2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12H
- InChIKey
- IJUDEFZBMMRSNM-UHFFFAOYSA-N
- SMILES
- Brc1ccc2ccccc2c1-c3c(Br)ccc4ccccc34
- CAS DataBase Reference
- 74866 · 74866-28-7(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 273 · P273-P301+P312+P330
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · 3
- HS Code
- 2903.99 · 2903.99.8001
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 4
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H413 (88.6%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 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 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Irrit. 2 (11.4%)；Aquatic Chronic 4 (88.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2903.99.8001
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H413
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4
- Precautionary statements
- P273-P301+P312+P330
Chemistry & industry
Applications
UsesThe synthesis of this class of compounds relies on the lithiation of racemic 2,2'-dibromo-1,1'-binaphthyl with t-BuLi followed by addition of Ph 2 PCl.
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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