Basic information
- CAS
4747-72-2- Standard SMILES
O=C=NC1CC1- InChIKey
DBBRJAWSDTYYBM-UHFFFAOYSA-N- Molecular formula
- C4H5NO
- Average molar mass
- 83.09 g/mol
- Monoisotopic mass
- 83.03711378
Names & identifiers
- Preferred name
- Isocyanatocyclopropane
- IUPAC
- isocyanatocyclopropane
- English name
- isocyanatocyclopropane
- Molecular formula
- C4H5NO
- Molecular weight
- 83.09
Names & synonyms
isocyanatocyclopropanecyclopropane, isocyanato-CYCLOPROPYL,ISOCYANATEDTXSID40348478RefChem:791712DTXCID20299550InChI=1/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H4747-72-2Cyclopropyl isocyanateMFCD02093694cyclopropylisocyanateisocyanato cyclopropane
Show more names
cyclopropane isocyanateCyclopropyl isocyanate (CPC)isocyanatocyclopropane ISO 9001：2015 REACH
Isocyanato-cyclopropaneSCHEMBL247292SCHEMBL3866357DBBRJAWSDTYYBM-UHFFFAOYSA-NAC8066AKOS000193979AB10805FC166324
Database identifiers
- CAS
4747-72-2- PubChem CID
- 637659
- DTXSID
DTXSID40348478- EC Number
- 820-137-7
- Nikkaji
- J2.949.547E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 89
Physicochemical properties
- Boiling point
- 87 · 87.0±9.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- liquid
- color
- Colourless
- Stability
- Hygroscopic
- InChI
- InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2
- InChIKey
- DBBRJAWSDTYYBM-UHFFFAOYSA-N
- SMILES
- C1(N=C=O)CC1
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H315-H319-H335
- Precautionary statements
- 210 · P210-P260-P280-P312
- RIDADR
- 3080 · UN3080
- HazardClass
- 6.1 · 6.1, 3
- HS Code
- 2929100090 · 2929100090
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
- ridadr
- UN3080
- hs_code
- 2929100090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_class
- 6.1, 3
- Hazard statements
- H225-H301+H311+H331-H315-H319-H335
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P210-P260-P280-P312
Chemistry & industry
Suppliers59 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [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]
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]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司
Related reactions
40 records
Compound notes
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