Basic information
- CAS
5309-18-2- Standard SMILES
COc1ccc2cccc(OC)c2c1- InChIKey
SNJIXGITYNNHDO-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- 1,7-Dimethoxynaphthalene
- IUPAC
- 1,7-dimethoxynaphthalene
- English name
- 1,7-Dimethoxynaphthalene
- Molecular formula
- C12H12O2
- Molecular weight
- 188.22
Names & synonyms
1,7-DimethoxynaphthaleneNaphthalene, 1,7-dimethoxy-NSC 59835DTXSID30201169RefChem:73681DTXCID80123660Naphthalene, 1,7-dimethoxy-(8CI)Naphthalene, 1,7-dimethoxy-(8CI)(9CI)InChI=1/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2HSNJIXGITYNNHDO-UHFFFAOYSA-N5309-18-2MFCD00039590
Show more names
Naphthalene,1,7-dimethoxy-1,7-Dimethoxynaphthalene - [D94644](2Z)-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-3-methyl-1,3-benzothiazole iodide
SCHEMBL443625Naphthalene, 1,7-dimethoxy- (8CI)(9CI)1,7-Dimethoxynaphthalene, 97%NSC-59835AKOS015913483BS-22677CS-0204915NSC59835
Database identifiers
- CAS
5309-18-2- PubChem CID
- 79197
- DTXSID
DTXSID30201169- UNII
- D79WPC6QPB
- Nikkaji
- J103.780C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 289 · 289-290 °C (lit.)
- Density
- 1.132 g/mL · 1.132 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.6160(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C12H12O2/c1-13-10-7-6-9-4-3-5-12(14-2)11(9)8-10/h3-8H,1-2H3
- InChIKey
- SNJIXGITYNNHDO-UHFFFAOYSA-N
- SMILES
- COc1ccc2cccc(OC)c2c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
- WGK Germany
- 3 · 3
- HS Code
- 2922210060 · 2922210060
- Storage Class
- 10 · 10 - Combustible liquids
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
- wgk
- 3
- hs_code
- 2922210060
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
宁波振岳医药科技有限公司19817745290 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海源叶生物科技有限公司18916372613 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
3 records
Compound notes
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