3'-Nitropropiophenone

HCID 87096CAS 17408-16-1

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Basic information

Standard SMILES: CCC(=O)c1cccc([N+](=O)[O-])c1
InChIKey: VSPOTMOYDHRALZ-UHFFFAOYSA-N
Molecular formula: C9H9NO3
Average molar mass: 179.175 g/mol
Monoisotopic mass: 179.05824315

Names & identifiers

Preferred name: 3'-Nitropropiophenone
IUPAC: 1-(3-Nitrophenyl)propan-1-one
English name: 3-Nitropropiophenone
Molecular formula: C9H9NO3
Molecular weight: 179.17

Names & synonyms

M-NITROPROPIOPHENONE3-NITROPROPIOPHENONE3-Nitro-propylphenone3'-Nitropropiophenone3'-Nitropropiophenone>3-NITROPHENYL ETHYL KETONE1-(3-NITROPHENYL)PROPANONE3''-NITROPROPIOPHENONE 98+%3'-Nitropropiophenone, 97+%3-nitro-1-phenylpropan-1-one

Database identifiers

CAS: 17408-16-1
PubChem CID: 87096
DTXSID: DTXSID10169758
UNII: 2H7AZ76A5R
EC Number: 241-435-8
Nikkaji: J287.040A

Properties

Physicochemical properties

Melting point: 98 · 98-101 °C (lit.)
Boiling point: 254.5 · 254.5±13.0 °C(Predicted)
Density: 1.199 · 1.199±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Yellow to Green
BRN: 1954069 · 1954069
InChI: 1S/C9H9NO3/c1-2-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3
InChIKey: VSPOTMOYDHRALZ-UHFFFAOYSA-N
SMILES: CCC(=O)c1cccc(c1)[N+]([O-])=O
CAS DataBase Reference: 17408 · 17408-16-1(CAS DataBase Reference)
FDA UNII: 2 H7AZ76A5R · 2H7AZ76A5R
NIST Chemistry Reference: m-Nitropropiophenone(17408-16-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi,Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-24/25-36-26
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2914790090 · 2914790090
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 2914790090
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 22-24/25-36-26
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications

Uses3′-Nitropropiophenone was used to study the FTIR and FT Raman spectra in the regions 3500-100 cm(-1).

Upstream & downstream products

Upstream raw materials

Benzene, (1,1-dimethoxypropyl)-2-nitropropiophenone 1-(4-Nitrophenyl)propan-1-one Propiophenone 3-Nitrobenzonitrile 3-Nitrobenzoic acid

Downstream products

2-Bromo-3'-chloropropiophenone (2E)-3-(5-methylthiophen-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one 2-(3-Aminophenyl)butyric acid

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

2 records

New reaction record

HRID 1026781As reactantuspto-grants-2014_05

HRID 1942990As reactantuspto-grants-2013_03

Linked notes

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