Basic information
- CAS
33901-44-9- Standard SMILES
Cc1ccc(OCC#N)cc1- InChIKey
GOCOKJDTFHEYKP-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Overview
See also: P-Tolyloxy-acetonitrile (annotation moved to).
Names & identifiers
- Preferred name
- 2-(4-Methylphenoxy)acetonitrile
- IUPAC
- 2-(4-methylphenoxy)acetonitrile
- English name
- 4-METHYLPHENOXYACETONITRILE
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
2-(4-methylphenoxy)acetonitrileGOCOKJDTFHEYKP-UHFFFAOYSA-RefChem:458099InChI=1/C9H9NO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,7H2,1H34-Methylphenoxyacetonitrile33901-44-92-(p-tolyloxy)acetonitrileMFCD00068121(4-methylphenoxy)acetonitrile2-(4-methylphenoxy)ethanenitrilep-Tolyloxyacetonitrilep-tolyloxy-acetonitrile
Show more names
BUTTPARK 48\15-554-Methylphenoxyacetonitrile,97%Acetonitrile, 2-(4-methylphenoxy)-
2-(4-Methylphenoxy)-acetonitrileSCHEMBL24139(p-methylphenoxy)-acetonitrileSCHEMBL3357599SCHEMBL3472112SCHEMBL15067092DTXSID00334418AC7568
Database identifiers
- CAS
33901-44-9- PubChem CID
- 520657
- DTXSID
DTXSID00334418- Nikkaji
- J429.837C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 42 · 42-44°C
- Boiling point
- 76 · 76-78°C 11mm
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- Flash point
- 76 · 76-78°C/11mm
- storage temp.
- 2 · 2-8°C
- Appearance
- Light brown to brown Solid
- BRN
- 2438642 · 2438642
- CAS DataBase Reference
- 33901 · 33901-44-9(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 22 · 22-36/37/39
- RIDADR
- 3439 · 3439
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 2926907090 · 2926907090
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
- ridadr
- 3439
- hs_code
- 2926907090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- safety_code
- 22-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers22 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [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]
上海宏驹医药科技有限公司18001895509 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
1 records
Compound notes
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