3-Acetylbenzonitrile

Modify Date: 2025-08-26 17:51:26

3-Acetylbenzonitrile Structure
3-Acetylbenzonitrile structure
Common Name 3-Acetylbenzonitrile
CAS Number 6136-68-1 Molecular Weight 145.158
Density 1.1±0.1 g/cm3 Boiling Point 267.3±23.0 °C at 760 mmHg
Molecular Formula C9H7NO Melting Point 98-100 °C(lit.)
MSDS Chinese USA Flash Point 115.5±22.6 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3-Acetylbenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 267.3±23.0 °C at 760 mmHg
Melting Point 98-100 °C(lit.)
Molecular Formula C9H7NO
Molecular Weight 145.158
Flash Point 115.5±22.6 °C
Exact Mass 145.052765
PSA 40.86000
LogP 1.16
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.539
InChIKey SBCFGFDAZCTSRH-UHFFFAOYSA-N
SMILES CC(=O)c1cccc(C#N)c1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302 + H312 + H332-H315-H319-H335
Precautionary Statements P261-P280-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn
Risk Phrases R20/21/22;R36/37/38
Safety Phrases S26-S37/39
RIDADR 3439
WGK Germany 3
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles2

More Articles
Synthesis of 3-substituted benzamides and 5-substituted isoquinolin-1(2H)-ones and preliminary evaluation as inhibitors of poly(ADP-ribose)polymerase (PARP).

Bioorg. Med. Chem. 6(6) , 721-34, (1998)

Inhibitors of poly(ADP-ribose)polymerase (PARP) inhibit repair of damaged DNA and thus potentiate radiotherapy and chemotherapy of cancer. 3-Substituted benzamides and 5-substituted isoquinolin-1-ones...

Synthesis and in vitro biological activity of N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidinamine derivatives. Mohana KN and Mallesha L.

Bulg. Chem. Commun. 43(3) , 395-400, (2011)

 3-AcetylbenzonitrileBioassay

View more

Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 4 days on DPPC, chol...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649948
Name: Phenotypic growth assay for Mycobacterium tuberculosis grown for 3 days on 7H9, gluco...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4649949
Name: Antibacterial activity against Acinetobacter baumannii ATCC 19606 (CO-ADD:GN_034); MI...
Source: ChEMBL
Target: Acinetobacter baumannii
External Id: CHEMBL4296188
Name: Antibacterial activity against Pseudomonas aeruginosa ATCC 27853 (CO-ADD:GN_042); MIC...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296187
Name: Antibacterial activity against Pseudomonas aeruginosa PAO397 [PAO1 d(mexAB-oprM) d(me...
Source: ChEMBL
Target: Pseudomonas aeruginosa
External Id: CHEMBL4296802
Name: Substrate activity at ADH101 (unknown origin) assessed as specific enzyme activity us...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5256048
Name: Substrate activity at ADH105 (unknown origin) assessed as specific enzyme activity us...
Source: ChEMBL
Target: N/A
External Id: CHEMBL5256049
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 Synonyms

MFCD00001806
M-CYANOACETOPHENONE
3-Acetylbenzonitrile
EINECS 228-110-6
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