Basic information
- Standard SMILES
N#CC1CCNCC1- InChIKey
FSDNTQSJGHSJBG-UHFFFAOYSA-N- Molecular formula
- C6H10N2
- Average molar mass
- 110.16 g/mol
- Monoisotopic mass
- 110.08439832
Names & identifiers
- Preferred name
- 4-Cyanopiperidine
- IUPAC
- piperidine-4-carbonitrile
- English name
- 4-Cyanopiperidine
- Molecular formula
- C6H10N2
- Molecular weight
- 110.16
Names & synonyms
4-Cyanopiperidine4395-98-6DTXSID70196000RefChem:522258DTXCID40118491700-005-4piperidine-4-carbonitrile4-PiperidinecarbonitrileMFCD05022468Isonipecotonitrile4-cyanopiperdine4-cyanopyperidine
Show more names
sonipecotonitrileCHEMBRDG-BB 4009819Piperidine-4-carboni5-AMINOPHTHALONITRILE4-CYANOPIPERIDINE >98%Piperidin-4-carbonitrile
4-cyano-piperidine(4-cyano)piperidinepiperidine-4-cabonitrile4-piperidine-carbonitriledipropyleneglycoldiTMM2LR8B86SCHEMBL102903SCHEMBL375581
Database identifiers
- CAS
4395-98-6- PubChem CID
- 138223
- DTXSID
DTXSID70196000- UNII
- TMM2LR8B86
- EC Number
- 700-005-4
- Nikkaji
- J1.531.904F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 0 °C · 0°C
- Boiling point
- 0 °C · 0°C
- Density
- 0.987 g/mL · 0.987 g/mL at 25 °C
- refractive index
- 1.4755 · 1.4755
- Flash point
- 0 °C · 0°C
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in chloroform.
- form
- Liquid
- pka
- 9.26 · 9.26±0.10(Predicted)
- color
- Colorless to pale yellow
- InChI
- InChI=1S/C6H10N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-4H2
- InChIKey
- FSDNTQSJGHSJBG-UHFFFAOYSA-N
- SMILES
- N1CCC(C#N)CC1
- CAS DataBase Reference
- 4395 · 4395-98-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P301+P312+P330-P305+P351+P338+P310
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-41-22
- Safety Statements
- 26 · 26-36/37/39-36-39
- RIDADR
- 3276 · 3276
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (93.9%)
Safety data
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29333990
- risk_code
- 20/21/22-36/37/38-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Harmful
- safety_code
- 26-36/37/39-36-39
- hazard_class
- 6.1
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P301+P312+P330-P305+P351+P338+P310
Chemistry & industry
Applications
Uses4-Cyanopiperidine is used as an intermediate for the preparation of pharmaceutical substances like antidepressants and anti-inflammatory. It is used as a precursor for the synthesis of piperidine derivatives.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
宁波振岳医药科技有限公司19817745290 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州东帆化学有限公司86-0571-85151182
上海皓伯化工科技有限公司021-57790084 13918007836
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
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上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Labex Corporation+91-11-26135922 or +91-11-46160359 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
河南赢创生物科技有限公司15672878902 · [email protected]
上海亚毓生物医药有限公司021-54370211 18051886391 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海霈阳化工有限公司+86 (21) 61919736
凯试（上海）科技有限公司021-50135380 · [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]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
Related reactions
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