Basic information
- CAS
5724-56-1- Standard SMILES
Cc1cccc(C#N)c1C- InChIKey
ZEDPQIJYJCPIRM-UHFFFAOYSA-N- Molecular formula
- C9H9N
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.07349929
Names & identifiers
- Preferred name
- 2,3-Dimethylbenzonitrile
- IUPAC
- 2,3-dimethylbenzonitrile
- English name
- 2,3-Dimethylbenzonitrile
- Molecular formula
- C9H9N
- Molecular weight
- 131.17
Names & synonyms
2,3-Dimethylbenzonitrile5724-56-1Benzonitrile, 2,3-dimethyl-2,3-Dimethylbenzonitril [German]2,3-DimethylbenzonitrilBRN 1932620EINECS 227-229-0UNII-6S215F38OK6S215F38OKZEDPQIJYJCPIRM-UHFFFAOYSA-DTXSID80205854RefChem:81852
Show more names
3-Dimethylbenzonitrile2,3-dimethyl-benzonitril2,3-Dimethylbenzonitrile98%2,3-Dimethylbenzonitrile >2,3-dimethyl benzene nitrile
DTXCID10128345227-229-04-09-00-01798 (Beilstein Handbook Reference)InChI=1/C9H9N/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,1-2H3ZEDPQIJYJCPIRM-UHFFFAOYSA-N3-Cyano-o-xyleneMedetomidine Impurity 11MFCD00019744
Database identifiers
- CAS
5724-56-1- PubChem CID
- 79802
- DTXSID
DTXSID80205854- UNII
- 6S215F38OK
- EC Number
- 227-229-0
- Nikkaji
- J225.118C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 153
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 23 · 23-25°C
- Boiling point
- 64 · 64-66°C 0,8mm
- Density
- 1.0111 · 1.0111 (estimate)
- refractive index
- 1.532 · 1.5320
- Flash point
- 64 · 64-66°C/0.8mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- BRN
- 1932620 · 1932620
- CAS DataBase Reference
- 5724 · 5724-56-1(CAS DataBase Reference)
- FDA UNII
- 6 S215F38OK · 6S215F38OK
- NIST Chemistry Reference
- 2 · Benzonitrile, 2,3-dimethyl-(5724-56-1)
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
H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 47 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 CategoriesSkin Irrit. 2 (17%)
Safety data
- rtecs
- DI4357600
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 23-36/37/39
- hazard_class
- IRRITANT-HARMFUL
- Hazard statements
- H303-H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers87 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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