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Basic information
- CAS
5117-85-1- Standard SMILES
N#CC1(O)CCCC1- InChIKey
JZHFFOQSXKDOSX-UHFFFAOYSA-N- Molecular formula
- C6H9NO
- Average molar mass
- 111.14 g/mol
- Monoisotopic mass
- 111.06841391
Names & identifiers
- Preferred name
- 1-Hydroxycyclopentanecarbonitrile
- IUPAC
- 1-hydroxycyclopentane-1-carbonitrile
- English name
- 1-Hydroxycyclopentane carbonitrile
- Molecular formula
- C6H9NO
- Molecular weight
- 111.14
Names & synonyms
1-HydroxycyclopentanecarbonitrileRefChem:4331735117-85-11-hydroxycyclopentane-1-carbonitrile1-Hydroxy-cyclopentanecarbonitrileCyclopentanecarbonitrile, 1-hydroxy-MFCD00043764Cyclopentanecarbonitrile,1-hydroxy-1-Hydroxycyclopentane carbonitrileBRN 2689354ghl.PD_Mitscher_leg0.44SCHEMBL1703692
Show more names
Alpha-hydroxycyclopentanecarbonitrile
SCHEMBL7669248DTXSID90199194ALBB-032344FAA11785AKOS005215750AB91846AS-40251SY175153
Database identifiers
- CAS
5117-85-1- PubChem CID
- 199855
- DTXSID
DTXSID90199194- Nikkaji
- J48.251J
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Boiling point
- 126 °C · 126 °C(Press: 26 Torr)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 11.45 · 11.45±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 9 · GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 330 · H330-H318-H300-H315-H310-H400
- Precautionary statements
- 262 · P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
- 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
- hs_code
- 2926907090
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS06
- Hazard statements
- H330-H318-H300-H315-H310-H400
- Precautionary statements
- P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P273-P391-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers22 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
浙江国拓华诺医药科技有限公司0086-18600013947 · [email protected]
Zhejiang guotuohuanuo pharmatech Co.,Ltd,+86-18600013947 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
6 records
Compound notes
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