ChemicalBook--->CAS DataBase List--->42872-30-0

42872-30-0

42872-30-0 Structure

42872-30-0 Structure
IdentificationMore
[Name]

2-(3-Benzoylphenyl)propionitrile
[CAS]

42872-30-0
[Synonyms]

2-(3-BENZOYLPHENYL)PROPIONITRILE
2-(m-Benzoylphenyl)propionitrile
3-(1-CYANOETHYL)BENZOPHENONE
3-BENZOYL-ALPHA-METHYLPHENYLACETONITRILE
24336r.p.
3-benzoyl-alpha-methyl-benzeneacetonitril
3-(1-Cyanoethhyl)benzophenone
KETOPROFEN NITRILE
2-(3-BENZOYLPHENYL)PROPIONITROILE
Ketonituile
3-Benzoyl-α-methylbenzeneacetonitrile
Ketprofen nitrile
[EINECS(EC#)]

255-982-5
[Molecular Formula]

C16H13NO
[MDL Number]

MFCD00044435
[Molecular Weight]

235.28
[MOL File]

42872-30-0.mol
Chemical PropertiesBack Directory
[Melting point ]

47-53 °C(lit.)
[Boiling point ]

400.8±28.0 °C(Predicted)
[density ]

1.115±0.06 g/cm3(Predicted)
[vapor pressure ]

10Pa at 20-50℃
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[color ]

White to Almost white
[Major Application]

pharmaceutical (small molecule)
pharmaceutical
[InChI]

InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
[InChIKey]

RGYOCHMZSLUCNP-UHFFFAOYSA-N
[SMILES]

C1(=CC=CC(C(C)C#N)=C1)C(=O)C1C=CC=CC=1
[CAS DataBase Reference]

42872-30-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

CY1693000
[REACH Registrations]

Active
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

2-(3-Benzoylphenyl)propionitrile was used as a substrate to study the enantioselectivity of nitrile hydratase from Rhodococcus equi A4.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(3-Benzoylphenyl)propionitrile(42872-30-0)MS
2-(3-Benzoylphenyl)propionitrile(42872-30-0)1HNMR
2-(3-Benzoylphenyl)propionitrile(42872-30-0)13CNMR
2-(3-Benzoylphenyl)propionitrile(42872-30-0)IR1
2-(3-Benzoylphenyl)propionitrile(42872-30-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

42872-30-0(sigmaaldrich)
[TCI AMERICA]

2-(3-Benzoylphenyl)propionitrile,>98.0%(GC)(42872-30-0)
42872-30-0 suppliers list
Company Name: Zhangjiagang Free Trade Zone Kailite Chemical Co., Ltd.  Gold
Telephone: 18606289633 15862625988
Website: http://www.clentchem.cn
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Chemsky(shanghai)International Co.,Ltd.  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: XiaoGan ShenYuan ChemPharm co,ltd  
Telephone: 15527621225; 15527621225
Website: http://www.farchem.com/
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: BioBioPha Co., Ltd.  
Telephone: 0871-65217109
Website: http://www.biobiopha.com
Company Name: Changzhou Joyous Chemical Co., Ltd.  
Telephone: 0519-85607258
Website: https://www.chemicalbook.com/ShowSupplierProductsList13820/0_EN.htm
Company Name: S.Z. PhyStandard Bio-Tech. Co., Ltd.  
Telephone: 0755-4000505016 13380397412
Website: https://www.sincopharmachem.net
Company Name: Shanghai T&W Pharmaceutical Co., Ltd.  
Telephone: +86 21 61551611
Website: www.trustwe.com
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Simagchem Corp.  
Telephone: 86 592 2680277
Website: www.simagchem.com
Company Name: UHN Shanghai Research & Development Co., Ltd.  
Telephone: 021-58958002 18930822973
Website: www.uhnshanghai.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Cantotech Chemicals, Ltd.  
Telephone: 86-0755-86635001
Website: www.cantotech.com
Tags:42872-30-0 Related Product Information
134-84-9 643-65-2 611-97-2 4940-11-8 9004-62-0 2128-93-0 119-61-9 131-58-8 151-18-8 9005-27-0 59512-16-2 107257-20-5 66067-44-5 22071-22-3 68432-95-1 5689-33-8 76469-88-0 1797984-80-5