(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
Basic information
- CAS
75714-59-9- Standard SMILES
COc1c(Br)cc2ccccc2c1-c1c(OC)c(Br)cc2ccccc12- InChIKey
DFTUKDIMHCCQIT-UHFFFAOYSA-N- Molecular formula
- C22H16Br2O2
- Average molar mass
- 472.2 g/mol
- Monoisotopic mass
- 469.9517
Names & identifiers
- Preferred name
- (S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
- IUPAC
- 3-bromo-1-(3-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
- English name
- (R)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
- Molecular formula
- C22H16Br2O2
- Molecular weight
- 472.17
Names & synonyms
75714-60-2(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthylRefChem:407959694-532-675714-59-9(R)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl(R)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthalene(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthalene75640-69-63,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthaleneMFCD040384153-bromo-1-(3-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
Show more names
(R)-3,3(R)-3,3"(R)-3 3'-DIBROMO-2 2'-DIMETHOXY-1 1'-BI&3,3'-DIBROMO-1,1'-BI-2-NAPHTHOL DIMETHYL ETHER(R)-3,3'-Dibtomo-2,2’-dimethoxy-1,1’-binaphthyl(S)-3,3'-DIBROMO-1,1'-BI-2-NAPHTHOL DIMETHYL ETHER(R)-3,3'-DIBROMO-1,1'-BI-2-NAPHTHOL DIMETHYL ETHER
NSC6974073,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthylSCHEMBL3263989CS-W009629NCI60_0347443-bromo-1-(3-bromo-2-methoxy-1-naphthyl)-2-methoxy-naphthaleneD2801(S)-3,3 inverted exclamation mark -Dibromo-2,2 inverted exclamation mark -dimethoxy-1,1 inverted ex
Database identifiers
- CAS
75714-59-9、75714-60-2- PubChem CID
- 394170
- ChEMBL
CHEMBL1969242- EC Number
- 688-571-8、694-532-6
- Nikkaji
- J1.193.143J
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 468.4 · 468.4±40.0 °C(Predicted)
- Density
- 1.556 · 1.556±0.06 g/cm3(Predicted)
- refractive index
- 12 ° · 12 ° (C=1, CHCl3)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- almost transparency in Chloroform
- form
- powder to crystal
- color
- White to Almost white
- CAS DataBase Reference
- 75714 · 75714-59-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-36/37-36
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
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hazard information
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- hs_code
- 29093090
- risk_code
- 36/37/38-36/37-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- Hazard statements
- H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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