Acetophenone-d8

HCID 2724856CAS 19547-00-3

Substructure search Find similar structures

Basic information

Standard SMILES: [2H]c1c([2H])c([2H])c(C(=O)C([2H])([2H])[2H])c([2H])c1[2H]
InChIKey: KWOLFJPFCHCOCG-JGUCLWPXSA-N
Molecular formula: C8H8O
Average molar mass: 128.2 g/mol
Monoisotopic mass: 128.10772884

Names & identifiers

Preferred name: Acetophenone-d8
IUPAC: 2,2,2-trideuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanone
English name: ACETOPHENONE-D8
Molecular formula: C8D8O
Molecular weight: 128.2

Names & synonyms

Acetophenone-d819547-00-3DTXSID20369262RefChem:316982DTXCID803202982,2,2-trideuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanoneMFCD00064447Ethanone-2,2,2-d3, 1-(phenyl-d5)-Acetophenone-d?orb2281113SCHEMBL30377597TMID-0026

Show more names

AcetophenoneAcetophenone-d8 NO.Acetophenone-d8,for NMR,99+ atom% DAcetophenone-d8, 99+ atom% D, for NMR1-(Phenyl-2,3,4,5,6-d5)-ethanone-2,2,2-d3Acetophenone-d8, 99+ atoM% D, for NMR 1GR

Acetophenone-d8, 98 atom % DHY-Y0989S1AKOS015903116AS-86123SY073923DB-238021CS-0226324D98272

Database identifiers

CAS: 19547-00-3
PubChem CID: 2724856
DTXSID: DTXSID20369262
EC Number: 687-226-9
Nikkaji: J733.374I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 101

Physicochemical properties

Melting point: 19 · 19-20 °C(lit.)
Boiling point: 202 °C · 202 °C(lit.)
Density: 1.098 g/mL · 1.098 g/mL at 25 °C
refractive index: 20 · n20/D 1.5322(lit.)
Flash point: 180 °F · 180 °F
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
InChI: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKey: KWOLFJPFCHCOCG-JGUCLWPXSA-N
SMILES: C(C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])(=O)C([2H])([2H])[2H]
CAS DataBase Reference: 19547 · 19547-00-3
UNSPSC Code: 12352116 · 12352116
NACRES: 12 · NA.12
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
RIDADR: 3334 · UN 3334
WGK Germany: 3 · 3
HS Code: 28459000 · 28459000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
ridadr: UN 3334
hs_code: 28459000
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H319
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
Precautionary statements: P264-P270-P280-P301+P312-P305+P351+P338-P337+P313

Chemistry & industry

Applications

UsesAcetophenone-d8 is a reagent used in the production of fragrances and resin polymers.

Suppliers39 total

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

盐城通铭生物科技有限公司15195160625 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海亚兴生物医药科技有限公司021-58956006,021-58950017 15800617331 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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