Basic information
- CAS
1112851-50-9- Standard SMILES
COc1ccc(C#N)nc1OC- InChIKey
AORRFAWKKJICET-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.0585775
Names & identifiers
- Preferred name
- 5,6-Dimethoxypicolinonitrile
- IUPAC
- 5,6-dimethoxypyridine-2-carbonitrile
- English name
- 5,6-Dimethoxypicolinonitrile
- Molecular formula
- C8H8N2O2
- Molecular weight
- 164.16
Names & synonyms
5,6-Dimethoxypicolinonitrile1112851-50-95,6-dimethoxypyridine-2-carbonitrileMFCD118576616-CYANO-2,3-DIMETHOXY-PYRIDINESCHEMBL4524162,3-dimethoxy-6-cyanopyridineDTXSID30673847AKOS006344800SB527495,6-DimethoxypicolinoniSCHEMBL31432803
Show more names
2-Pyridinecarbonitrile, 5,6-dimethoxy-5,6-Dimethoxypicolinonitrile ISO 9001：2015 REACH
5,6-Dimethoxypicolinonitrile, AldrichCPRAS-75901SY282972CS-0089786F301188
Database identifiers
- CAS
1112851-50-9- PubChem CID
- 46736760
- DTXSID
DTXSID30673847
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 275.4 · 275.4±40.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- -4.13 · -4.13±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Suppliers33 total
珠海奥博凯生物医药技术有限公司400-0628126
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
上海昂斯化学科技有限公司13917628136 15900795984 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
济南泺合医药技术有限公司86-0531-68658065 15726150375 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
无锡凯德瑞医药科技有限公司19906241957 · [email protected]
济南千叶医药技术有限公司70803088888 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [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]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
12 records
Compound notes
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