Basic information
- CAS
6161-50-8- Standard SMILES
COc1cccc(-c2cccc(OC)c2)c1- InChIKey
UCHNVSDXSPIKRG-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 3,3'-Dimethoxybiphenyl
- IUPAC
- 1-methoxy-3-(3-methoxyphenyl)benzene
- English name
- 3,3'-BIANISOLE
- Molecular formula
- C14H14O2
- Molecular weight
- 214.26
Names & synonyms
3,3'-Dimethoxybiphenyl6161-50-83,3'-Dimethoxy-1,1'-biphenyl4GCC093S7JNSC-60032DTXSID40210626RefChem:1065550DTXCID70133117228-187-61-methoxy-3-(3-methoxyphenyl)benzeneBiphenyl, 3,3'-dimethoxy-1,1'-Biphenyl, 3,3'-dimethoxy-
Show more names
3 3-BIANISOLE 97%3,3′-Dimethoxybiphenyl3 3-DIMETHOXYBIPHENYL 97%3,3′-Dimethoxybiphenyl, CAS 6161-50-8
EINECS 228-187-6MFCD000083913,3'-BianisoleUNII-4GCC093S7JNSC600323,3?-DimethoxybiphenylBiphenyl,3'-dimethoxy-1, 3,3'-dimethoxy-
Database identifiers
- CAS
6161-50-8- PubChem CID
- 80265
- DTXSID
DTXSID40210626- UNII
- 4GCC093S7J
- EC Number
- 228-187-6
- Nikkaji
- J105.220I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 44 · 44-45 °C(lit.)
- Boiling point
- 328 °C · 328 °C(lit.)
- Density
- 1.0781 · 1.0781 (rough estimate)
- refractive index
- 1.557 · 1.5570 (estimate)
- Flash point
- 230 °F · >230 °F
- form
- solid
- InChI
- 1S/C14H14O2/c1-15-13-7-3-5-11(9-13)12-6-4-8-14(10-12)16-2/h3-10H,1-2H3
- InChIKey
- UCHNVSDXSPIKRG-UHFFFAOYSA-N
- SMILES
- COc1cccc(c1)-c2cccc(OC)c2
- FDA UNII
- 4 GCC093S7J · 4GCC093S7J
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses3,3''-Dimethoxy-1,1''-biphenyl is a useful reactant in organic synthesis.
Upstream & downstream products
Downstream products
Suppliers20 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
上海金赛生物科技有限公司189-1821-4718 18918214718 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
4 records
Compound notes
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