Basic information
- CAS
4426-11-3- Standard SMILES
N#CC1CCC1- InChIKey
GFBLFDSCAKHHGX-UHFFFAOYSA-N- Molecular formula
- C5H7N
- Average molar mass
- 81.12 g/mol
- Monoisotopic mass
- 81.05784922
Names & identifiers
- Preferred name
- Cyanocyclobutane
- IUPAC
- cyclobutanecarbonitrile
- English name
- Cyclobutanecarbonitrile
- Molecular formula
- C5H7N
- Molecular weight
- 81.12
Names & synonyms
CyclobutanecarbonitrileCyanocyclobutane4426-11-3Cyclobutyl cyanideEINECS 224-606-1DTXSID30196086RefChem:129048DTXCID40118577224-606-1GFBLFDSCAKHHGX-UHFFFAOYSA-NInChI=1/C5H7N/c6-4-5-2-1-3-5/h5H,1-3HMFCD00013735
Show more names
CyclobutyronitrileCyclobutadiene nitrileCyclobutanecarbonitrile,97%Cyclobutanecarbonitrile - C5653Cyanocyclobutane~Cyclobutyl cyanideCyanocyclobutane ISO 9001：2015 REACHCyclobutanecarbonitrile (6CI, 7CI, 8CI, 9CI, ACI)
cyclobutane carbonitrileBCP21734cyclobutanecarbonitrile, AldrichCPRAKOS009158004Z406694072cyclobutancarbonicyclobutancarbonitrileCyanocyclobutane;Cyclobutanecarbonitrile
Database identifiers
- CAS
4426-11-3- PubChem CID
- 78148
- DTXSID
DTXSID30196086- EC Number
- 224-606-1
- Nikkaji
- J205.803K
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 83.4
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Boiling point
- 144 · 144-146°C
- Density
- 0 · 0,868 g/cm3
- refractive index
- 1.4325 · 1.4325
- Flash point
- 42 °C · 42°C
- storage temp.
- 2 · 2-8°C
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- Water Solubility
- Slightly soluble in water.
- BRN
- 2037573 · 2037573
- InChI
- InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2
- InChIKey
- GFBLFDSCAKHHGX-UHFFFAOYSA-N
- SMILES
- C1(C#N)CCC1
- CAS DataBase Reference
- 4426 · 4426-11-3(CAS DataBase Reference)
- NIST Chemistry Reference
- Cyclobutanecarbonitrile(4426-11-3)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P310-P305+P351+P338-P337+P313
- Hazard Codes
- T
- Risk Statements
- 11 · 11-20/21/22-36-25
- Safety Statements
- 3 · 3/7-9-16-36/37/39-45-26
- RIDADR
- 3275 · 3275
- WGK Germany
- 3 · WGK 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 2926907090 · 2926907090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralEye · Acute Tox. 3 OralEye Irrit. 2
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (88.9%)
Safety data
- wgk
- WGK 3
- ridadr
- 3275
- hs_code
- 2926907090
- risk_code
- 11-20/21/22-36-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 3/7-9-16-36/37/39-45-26
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- II
- Hazard statements
- H301-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P310-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesIt is used for research or analysis use only, as pharmaceutical intermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
天津奕星生物科技有限公司022-82103883 18100103827
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
上海瑞一医药科技股份有限公司021-54711706
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海法默生物科技有限公司02136680027 15800370750 · [email protected]
成都诺维生物科技有限公司028-81458053 · [email protected] [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
南京奕明医药科技有限公司19850700912; 19850700912 · [email protected]
石家庄琪跃化工有限公司15369111890 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [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]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [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]
斯派螺（武汉）药物研发有限公司[email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
常州安科尔生物科技有限公司0519-85519868 18915088878
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
石家庄康西生物科技有限公司13803336640 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
成都叮当时代医药科技有限公司028-86040038 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海兰伯特生物科技有限公司17721190514 · [email protected]
Related reactions
29 records
Compound notes
Loading…