Basic information
- CAS
2888-90-6- Standard SMILES
N#CC1CC2C=CC1C2- InChIKey
BMAXQTDMWYDIJX-UHFFFAOYSA-N- Molecular formula
- C8H9N
- Average molar mass
- 119.16 g/mol
- Monoisotopic mass
- 119.07349929
Overview
See also: Endo-5-norbornene-2-carbonitrile (annotation moved to).
Names & identifiers
- Preferred name
- Bicyclo(2.2.1)hept-5-ene-2-carbonitrile
- IUPAC
- bicyclo[2.2.1]hept-5-ene-2-carbonitrile
- English name
- 5-Norbornene-2-carbonitrile
- Molecular formula
- C8H9N
- Molecular weight
- 119.16
Names & synonyms
Bicyclo[2.2.1]hept-5-ene-2-carbonitrileBicyclo(2.2.1)hept-5-ene-2-carbonitrileRefChem:568101202-391-55-NORBORNENE-2-CARBONITRILE95-11-45-Cyano-2-norbornene5-Norbornene-2-carbonitrile, endo-MFCD00167563AI3-059285-Cyanobicyclo[2.2.1]hept-2-eneBicyclo(2.2.1)hept-5-ene-2-carbonitrile, endo-
Show more names
Bicyclo[2.2.1]-5-hepten-2-carbonitrile2-Cyano-5-norTIMTEC-BB SBB0079342-Cyano-5-norbornene2-Cyanonorborn-5-ene5-Diopatene-2-nitrile5-Norbornene-2-carbonitriLNorborn-5-ene-2-carbonitrile
DTXSID20870949AC-4856endo-5-cyanobicyclo[2.2.1]hept-2-eneAS-190202888-90-630811-49-5BRN 31958565-norbornene-2-nitrile
Database identifiers
- CAS
2888-90-6、95-11-4- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 12 · 12-14 °C(lit.)
- Boiling point
- 82 · 82-86 °C10 mm Hg(lit.)
- Density
- 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 150 °F · 150 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Light yellow to Amber to Dark green
- InChI
- InChI=1S/C8H9N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-4H2
- InChIKey
- BMAXQTDMWYDIJX-UHFFFAOYSA-N
- SMILES
- C12CC(C=C1)CC2C#N
- CAS DataBase Reference
- 95 · 95-11-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carbonitrile(95-11-4)
- EPA Substance Registry System
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- RB7930000
- hs_code
- 29269090
- Toxicity
- LD50 ivn-mus: 10 mg/kg CSLNX* NX#00780
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36/37
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
UsesBicyclo[2.2.1]hept-2-ene-5-carbonitrile is used in method for continuously preparing cyanonorbornene by using microchannel reactor.
General DescriptionThe hydrogenation of 5-norbornene-2-carbonitrile was studied using real-time mass spectrometric analysis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
5 records
Compound notes
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