Cas no 27613-36-1 (5-formyl-2-methylbenzonitrile)

5-Formyl-2-methylbenzonitrile is a versatile aromatic nitrile compound featuring both formyl and methyl substituents on its benzene ring. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The formyl group offers reactivity for condensation and nucleophilic addition reactions, while the nitrile functionality allows for further derivatization, such as hydrolysis or reduction. Its well-defined molecular architecture ensures consistent performance in multi-step synthetic routes. The compound is typically supplied in high purity, ensuring reliable results in research and industrial applications. Its stability under standard storage conditions further enhances its utility as a synthetic building block.

5-formyl-2-methylbenzonitrile structure

Product Name:5-formyl-2-methylbenzonitrile

CAS No:27613-36-1

MF:C₉H₇NO

MW:145.157982110977

MDL:MFCD12197728

CID:251310

PubChem ID:18187148

Update Time:2025-05-27

5-formyl-2-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

- Benzonitrile,5-formyl-2-methyl-
- 5-FORMYL-2-METHYLBENZONITRILE
- 3-cyano-4-methylbenzaldehyde
- 5-formyl-2-methyl-benzonitrile
- AGN-PC-01RI28
- BBL014475
- SBB050484
- Benzonitrile, 5-formyl-2-methyl- (9CI)
- SCHEMBL6435855
- DS-11574
- EN300-2991192
- MGIDYGYXTDXIGD-UHFFFAOYSA-N
- CS-0144657
- MFCD12197728
- BB 0240288
- 27613-36-1
- DTXSID50592687
- Z1201626331
- FT-0683297
- AKOS005172520
- A918338
- Benzonitrile, 5-formyl-2-methyl-
- J-016826
- DB-118450
- XH1284
- ALBB-010674
- 5-formyl-2-methylbenzonitrile
- MDL： MFCD12197728
- Inchi： 1S/C9H7NO/c1-7-2-3-8(6-11)4-9(7)5-10/h2-4,6H,1H3
- InChI Key： MGIDYGYXTDXIGD-UHFFFAOYSA-N
- SMILES： O=CC1C=CC(C)=C(C#N)C=1

Computed Properties

Exact Mass: 145.05281
Monoisotopic Mass: 145.052763847g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 11
Rotatable Bond Count: 1
Complexity: 191
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.5
Topological Polar Surface Area: 40.9?2

Experimental Properties

Boiling Point: 235.5±20.0°C at 760 mmHg
PSA: 40.86
LogP: 1.67918

5-formyl-2-methylbenzonitrile Security Information

Signal Word：Warning
Hazard Statement： H302-H315-H319-H332-H335
Warning Statement： P280-P305+P351+P338-P310
HazardClass：IRRITANT
Storage Condition：Inert atmosphere,2-8°C

5-formyl-2-methylbenzonitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A014000373-250mg	3-Cyano-4-methylbenzaldehyde	27613-36-1	97%	250mg	$504.00	2023-09-02
Alichem	A014000373-500mg	3-Cyano-4-methylbenzaldehyde	27613-36-1	97%	500mg	$806.85	2023-09-02
Alichem	A014000373-1g	3-Cyano-4-methylbenzaldehyde	27613-36-1	97%	1g	$1490.00	2023-09-02
Chemenu	CM251876-10g	5-Formyl-2-methylbenzonitrile	27613-36-1	95%	10g	$204	2021-06-16
Chemenu	CM251876-25g	5-Formyl-2-methylbenzonitrile	27613-36-1	95%	25g	$374	2021-06-16
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	F895485-1g	5-Formyl-2-methylbenzonitrile	27613-36-1	98%	1g	784.80	2021-05-17
TRC	F701370-10mg	5-Formyl-2-methylbenzonitrile	27613-36-1		10mg	45.00	2021-08-12
TRC	F701370-50mg	5-Formyl-2-methylbenzonitrile	27613-36-1		50mg	60.00	2021-08-12
TRC	F701370-100mg	5-Formyl-2-methylbenzonitrile	27613-36-1		100mg	75.00	2021-08-12
Apollo Scientific	OR944886-1g	5-Formyl-2-methylbenzonitrile	27613-36-1	97%	1g	￡200.00	2023-09-01