Basic information
- CAS
2317-22-8- Standard SMILES
Cc1c(C#N)cccc1C#N- InChIKey
SVQCNROYIFLAMR-UHFFFAOYSA-N- Molecular formula
- C9H6N2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.05309819
Names & identifiers
- Preferred name
- 2,6-Dicyanotoluene
- IUPAC
- 2-methylbenzene-1,3-dicarbonitrile
- English name
- 2,6-DICYANOTOLUENE
- Molecular formula
- C9H6N2
- Molecular weight
- 142.16
Names & synonyms
2,6-DicyanotolueneRefChem:445492626-569-02-Methylisophthalonitrile2317-22-82-methylbenzene-1,3-dicarbonitrile1,3-Benzenedicarbonitrile, 2-methyl-MFCD000122853-Phthalodinitrile2-Methylisophthalonitrile #2,6-Dicyanotoluene, 97%SCHEMBL637910
Show more names
2,6-Dicyanotoluene 97%2-METHYL-1,3-BENZENEDICARBONITRILE
SCHEMBL819145DTXSID50343232SBB086234AKOS005071160DB-046097CS-0320642ST510381698E-036
Database identifiers
- CAS
2317-22-8- PubChem CID
- 588396
- DTXSID
DTXSID50343232- EC Number
- 626-569-0
- Nikkaji
- J265.478D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 135 · 135-137 °C (lit.)
- Boiling point
- 125 · 125-130 °C/2 mmHg (lit.)
- Density
- 1.1777 · 1.1777 (rough estimate)
- refractive index
- 1.6211 · 1.6211 (estimate)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C9H6N2/c1-7-8(5-10)3-2-4-9(7)6-11/h2-4H,1H3
- InChIKey
- SVQCNROYIFLAMR-UHFFFAOYSA-N
- SMILES
- Cc1c(cccc1C#N)C#N
- CAS DataBase Reference
- 2317 · 2317-22-8
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
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 39 reports by companies from 2 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
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- 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
- Precautionary statements
Chemistry & industry
Applications
Uses2,6-Dicyanotoluene was used in the synthesis of E-2-(2,6-dcyanophenyl)-N,N-dimethylethenamine by undergoing condensation with dimethylformamide dimethyl acetal (DMFDMA).
Upstream & downstream products
Downstream products
Suppliers22 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南赢创生物科技有限公司15672878902 · [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]
上海百韧生物科技有限公司13564638271 · [email protected]
Related reactions
4 records
Compound notes
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