Basic information
- CAS
15760-35-7- Standard SMILES
C=C1CC(C#N)C1- InChIKey
ZRWMAMOBIQQJSA-UHFFFAOYSA-N- Molecular formula
- C6H7N
- Average molar mass
- 93.13 g/mol
- Monoisotopic mass
- 93.05784922
Names & identifiers
- Preferred name
- 3-Methylenecyclobutanecarbonitrile
- IUPAC
- 3-methylidenecyclobutane-1-carbonitrile
- English name
- 3-Methylenecyclobutanecarbonitrile
- Molecular formula
- C6H7N
- Molecular weight
- 93.13
Names & synonyms
3-MethylenecyclobutanecarbonitrileRefChem:504212631-528-515760-35-73-methylidenecyclobutane-1-carbonitrile3-Methylenecyclobutane-1-carbonitrileCYCLOBUTANECARBONITRILE, 3-METHYLENE-MFCD010854013-Methylene-1-cyanocyclobutane3-Methylenecyclobutane carbonitrile3-Methylenecyanocyclobutane3-Methylene cyclobutyl carbonitrile
Show more names
usafa-181033-Methylenecyclobutanecar...1-Cyano-3-methylidenecyclobutane3-methylene-cyclobutanecarbonitril3-METHYLENE CYCLOBUTYL FORMONITRILE
BRN 2038614USAF A-181033-Methylene-cyclobutanecarbonitrile3-Methylenecyclobutanenitrile4-09-00-00111 (Beilstein Handbook Reference)SCHEMBL571028DTXSID80166294ZRWMAMOBIQQJSA-UHFFFAOYSA-N
Database identifiers
- CAS
15760-35-7- PubChem CID
- 27474
- DTXSID
DTXSID80166294- EC Number
- 631-528-5
- Nikkaji
- J48.584E
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
Physicochemical properties
- Melting point
- 149 · 149-150 ºC
- Boiling point
- 163.58 °C · 163.58°C (rough estimate)
- Density
- 0.912 g/mL · 0.912 g/mL at 25 °C
- refractive index
- 20 · n20/D1.461
- Flash point
- 58 ℃ · 58℃
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- liquid
- color
- Clear, colourless
- InChI
- InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2
- InChIKey
- ZRWMAMOBIQQJSA-UHFFFAOYSA-N
- SMILES
- C1(C#N)CC(=C)C1
- CAS DataBase Reference
- 15760 · 15760-35-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 3 · 3-Methylenecyclobutane-carbonitrile(15760-35-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 226 · H226-H301-H312+H332-H315-H317-H319-H335
- Precautionary statements
- 210 · P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-43
- Safety Statements
- 26 · 26-36/37/39-36/37-7/9
- RIDADR
- 3276 · 3276
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- HS Code
- 2926907090 · 2926907090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
- Toxicity
- 50 · mouse,LD50,intraperitoneal,250mg/kg (250mg/kg),National Technical Information Service. Vol. AD603-561,
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
Danger
H226 (92.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (92.9%)
Safety data
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2926907090
- Toxicity
- mouse,LD50,intraperitoneal,250mg/kg (250mg/kg),National Technical Information Service. Vol. AD603-561,
- risk_code
- 20/21/22-36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-36/37-7/9
- hazard_class
- IRRITANT
- Storage Class
- 3 - Flammable liquids
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H226-H301-H312+H332-H315-H317-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P210-P280-P301+P310+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses3-Methylenecyanocyclobutane is a compound that can undergo hydrophosphination with phosphine boranes and phosphites to prepare novel cyclobutyl-P derivatives.
Upstream & downstream products
Downstream products
Suppliers91 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
天津合信成化工科技有限公司13752273685 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
沧州辉映医药科技有限责任公司15532866377 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
南京唯博特医药科技有限公司18066048793 · [email protected]
南京库维诺思医药科技有限公司17853099917 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [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]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
斯派螺（武汉）药物研发有限公司[email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海众擎元创医药科技有限公司216-6566345 13720529912 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
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]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
山东轩德医药科技有限公司18866895588 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
北京艾德旺科技发展有限公司010-69729398 18612521532
上海特伯化学科技有限公司021-58170097 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
7 records
Compound notes
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