Basic information
- CAS
39718-07-5- Standard SMILES
Cc1cc(C#N)cc(C#N)c1- InChIKey
LYSGVAGOLJKEGK-UHFFFAOYSA-N- Molecular formula
- C9H6N2
- Average molar mass
- 142.16 g/mol
- Monoisotopic mass
- 142.0530982
Names & identifiers
- Preferred name
- 5-Methylisophthalonitrile
- IUPAC
- 5-methylbenzene-1,3-dicarbonitrile
- English name
- 3,5-Dicyanotoluene
- Molecular formula
- C9H6N2
- Molecular weight
- 142.16
Names & synonyms
5-MethylisophthalonitrileRefChem:537289641-244-33,5-Dicyanotoluene39718-07-55-methylbenzene-1,3-dicarbonitrileMFCD000520165-methyl-1,3-benzenedicarbonitrile5-Methyl-isophthalonitrile3,5-Dicyanotoluene 98%5-Methylisophthalonitrile 98%5-Methylisophthalonitrile,97%
Show more names
5-Methylisophthalonitrile98%5-methylmetabenzenedimethylnitrile1,3-Benzenedicarbonitrile, 5-methyl-
SCHEMBL1004620SCHEMBL1311173SCHEMBL7874413DTXSID80371129AS-92299SY275427DB-022046CS-0367103
Database identifiers
- CAS
39718-07-5- PubChem CID
- 2736100
- DTXSID
DTXSID80371129- EC Number
- 641-244-3
- Nikkaji
- J267.298G
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
- 166 · 166-168°C
- Boiling point
- 276.1 · 276.1±20.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- form
- powder
- color
- Nearly white
- BRN
- 1940447 · 1940447
- CAS DataBase Reference
- 39718 · 39718-07-5(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H331
- Precautionary statements
- 261 · P261-P280h-P304+P340-P311a-P405-P501a
- Hazard Codes
- T
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-36/37
- RIDADR
- 3276 · 3276
- Hazard Note
- Toxic
- HazardClass
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
H319 (88.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (88.4%)
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- T
- hazard_note
- Toxic
- safety_code
- 22-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331
- Precautionary statements
- P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海相辉医药科技有限公司[email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…