Basic information
- CAS
5732-87-6- Standard SMILES
N#CCC1CCCC1- InChIKey
BKMDIBDWHXWKSV-UHFFFAOYSA-N- Molecular formula
- C7H11N
- Average molar mass
- 109.17 g/mol
- Monoisotopic mass
- 109.08914936
Names & identifiers
- Preferred name
- Cyclopentaneacetonitrile
- IUPAC
- 2-cyclopentylacetonitrile
- English name
- cyclopentaneacetonitrile
- Molecular formula
- C7H11N
- Molecular weight
- 109.17
Names & synonyms
Cyclopentaneacetonitrile5732-87-6cyclopentylacetonitrile2-cyclopentylacetonitrile793S7E8S2YEINECS 227-241-6NSC-81879(CYCLOPENTYL)ACETONITRILEDTXSID20205939NSC 81879RefChem:129848DTXCID00128430
Show more names
227-241-6MFCD00058671NSC818792-cyclopentylethanenitrileNCIOpen2_000878UNII-793S7E8S2YSCHEMBL1437260SCHEMBL1928639
Database identifiers
- CAS
5732-87-6- PubChem CID
- 79809
- DTXSID
DTXSID20205939- UNII
- 793S7E8S2Y
- EC Number
- 227-241-6
- Nikkaji
- J218.026J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 80 °C · 80 °C(Press: 27 Torr)
- Density
- 0.912 · 0.912±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- liquid
- color
- Colourless
- FDA UNII
- 793 S7E8S2Y · 793S7E8S2Y
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HazardClass
- IRRITANT
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Suppliers28 total
韶远科技(上海)有限公司4000665055 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
2 records
Compound notes
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