Ethanone, 1-(3-(trifluoromethyl)phenyl)-, oxime

HCID 280810

Notes Reactions

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Basic information

CAS: 99705-50-7
Standard SMILES: CC(=NO)c1cccc(C(F)(F)F)c1
InChIKey: QQGVWMIRCZEUBB-UHFFFAOYSA-N
Molecular formula: C9H8F3NO
Average molar mass: 203.16 g/mol
Monoisotopic mass: 203.05579836

Names & identifiers

Preferred name: Ethanone, 1-(3-(trifluoromethyl)phenyl)-, oxime
IUPAC: N-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
English name: 3'-(Trifluoromethyl)acetophenone oxime
Molecular formula: C9H8F3NO
Molecular weight: 203.16

Names & synonyms

99705-50-7Ethanone, 1-[3-(trifluoromethyl)phenyl]-, oximeDTXSID80888782Ethanone, 1-(3-(trifluoromethyl)phenyl)-, oximeRefChem:138349DTXCID101028056619-454-11-(3-(Trifluoromethyl)phenyl)ethanone oximeN-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine1-[3-(trifluoromethyl)phenyl]ethanone oximeN-{1-[3-(trifluoromethyl)phenyl]ethylidene}hydroxylamine(NE)-N-[1-[3-(trifluoromethyl)phenyl]ethylidene]hydroxylamine

Show more names

1-[3-trifuoromethyl phenyl]-oximem-Trifluoromethylacetophenoneoxime-(Trifluoromethyl)acetophenoneOxime1-(Trifluormethylphenyl)ethanonoxim)3-(TRIFLUOROMETHYL)ACETOPHENONE OXIME3'-(Trifluoromethyl)acetophenone oxime1-(3-(trifluoromethyl)phenyl)ethanone oxim1-[3-(trifluoromethyl)phenyl]ethan-1-one oxime(E)-1-(3-(Trifluoromethyl)phenyl)ethanone oxime

3-trifluoromethylacetophenone oximeSCHEMBL3628848SCHEMBL301129383'-trifluoromethylacetophenone oximeAKOS0172638431-[3-(Trifluoromethyl)phenyl]ethanoneoximeDB-0282323 inverted exclamation marka-(Trifluoromethyl)acetophenone oxime

Database identifiers

CAS: 99705-50-7
PubChem CID: 280810
DTXSID: DTXSID80888782
EC Number: 619-454-1

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 32.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 83 · 83-86°C
Boiling point: 255.4 · 255.4±40.0 °C(Predicted)
Density: 1.23 · 1.23±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: 11.14 · 11.14±0.70(Predicted)
form: Solid
color: White to Off-White
Stability: Hygroscopic
InChI: InChI=1S/C9H8F3NO/c1-6(13-14)7-3-2-4-8(5-7)9(10,11)12/h2-5,14H,1H3
InChIKey: QQGVWMIRCZEUBB-UHFFFAOYSA-N
SMILES: C(=NO)(C1=CC=CC(C(F)(F)F)=C1)C
EPA Substance Registry System: 1 · Ethanone, 1-[3-(trifluoromethyl)phenyl]-, oxime (99705-50-7)
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 2926907090 · 2926907090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Safety data

tsca: TSCA listed
hs_code: 2926907090
risk_code: 36/37/38
Signal word: Warning
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-[3-(trifluoromethyl)phenyl]-, oxime: INACTIVE

Applications

Usesm-(Trifluoromethyl)acetophenone Oxime is a reactant in the synthesis of Trifloxystrobin (T778900) which is a broad-spectrum foliar fungicide used in plant protection.

Suppliers71 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

湖北万得化工有限公司15377098680 15377098680 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]

Related reactions

7 records

New reaction record

HRID 1217991As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1648416As productuspto-grants-1995_07

HRID 1737119As reactantuspto-grants-1999_10

HRID 1737120As reactantuspto-grants-1999_10

HRID 1737121As productuspto-grants-1999_10

HRID 2333420As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2340391As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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