Basic information
- CAS
27613-33-8- Standard SMILES
Cc1ccc(C=O)c(C#N)c1- InChIKey
HQENAWFYEWLGTH-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
Names & identifiers
- Preferred name
- 2-Formyl-5-methylbenzonitrile
- IUPAC
- 2-formyl-5-methylbenzonitrile
- English name
- Phthalaldehydonitrile, 5-methyl- (8CI)
- Molecular formula
- C9H7NO
- Molecular weight
- 145.16
Names & synonyms
2-formyl-5-methylbenzonitrile27613-33-8Benzonitrile, 2-formyl-5-methyl-MFCD183942932-Formyl-5-methyl-benzonitrile5-MethylphthalaldehydonitrileSCHEMBL583644HQENAWFYEWLGTH-UHFFFAOYSA-NAKOS025117430CS-W021698DS-8440Phthalaldehydonitrile, 5-methyl- (8CI)
Show more names
2-cyano-4-methylbezaldehyde2-(chloro(hydroxyimino)methyl)benzonitrile
SY114841W17085F425137
Database identifiers
- CAS
27613-33-8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Boiling point
- 311.4 · 311.4±30.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses2-Formyl-5-methylbenzonitrile is a useful chemical for research.
Suppliers25 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安徽合诺生物科技有限公司18455579438
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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