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Supelco

91928

2,4,6-三羟基苯乙酮一水合物

Sigma-Aldrich

491527

对氯苯乙酮-2′,3′,5′,6′-d₄

Sigma-Aldrich

T64602

2,4,6-三羟基苯乙酮一水合物

Sigma-Aldrich

92220

2′,4′,6′-三甲基苯乙酮

≥99.5%

98 atom % D

98%

≥98.0% (GC)

Pricing and availability is not currently available.

To inquire about this product 92220, please contact your local Merck office or dealer. Contact Technical Service

2,4,6-三羟基苯乙酮一水合物

对氯苯乙酮-2′,3′,5′,6′-d₄

2,4,6-三羟基苯乙酮一水合物

2′,4′,6′-三甲基苯乙酮

Pricing and availability is not currently available.

To inquire about this product 92220, please contact your local Merck office or dealer. Contact Technical Service

Description

Synonyms

2-乙酰间苯三酚, THAP

1-(4-Chloro-2,3,5,6-tetradeuteriophenyl)ethanone

2-乙酰间苯三酚, THAP

2′,4′,6′-三甲基乙酰苯

CAS Number

Molecular Formula

Linear Formula

: (HO)₃C₆H₂COCH₃·H₂O

Linear Formula

: ClC₆D₄COCH₃

Linear Formula

: (HO)₃C₆H₂COCH₃·H₂O

Linear Formula

: (CH₃)₃C₆H₂COCH₃

Empirical Formula (Hill Notation)

: C₈H₈O₄ · H₂O

Empirical Formula (Hill Notation)

: C₈D₄H₃ClO

Empirical Formula (Hill Notation)

: C₈H₈O₄ · H₂O

Empirical Formula (Hill Notation)

: C₁₁H₁₄O

Molecular Weight

: 186.16

Molecular Weight

: 158.62

Molecular Weight

: 186.16

Molecular Weight

: 162.23

MDL Number

MFCD00149091

MFCD00084129

MFCD00149091

MFCD00008735

Quality Designations

100

200

100

Properties

分析物化学类别:

glycans, oligonucleotides, peptides, proteins

分析物化学类别:

方案:

≥99.5% (HPLC)
≥99.5%

方案:

98%

方案:

≥98.0% (GC)

沸点:

232 °C (lit.)

沸点:

235-236 °C (lit.)
61-62 °C/0.1 mmHg (lit.)

痕量阳离子:

Ca: ≤200 mg/kg
Cd: ≤5 mg/kg
Co: ≤5 mg/kg
Cr: ≤5 mg/kg
Cu: ≤5 mg/kg
Fe: ≤5 mg/kg
K: ≤50 mg/kg
Mg: ≤5 mg/kg
Mn: ≤5 mg/kg
Na: ≤50 mg/kg
Ni: ≤5 mg/kg
Pb: ≤5 mg/kg
Zn: ≤5 mg/kg

痕量阳离子:

颜色:

light yellow

颜色:

密度:

1.192 g/mL at 25 °C

密度:

0.975 g/mL at 25 °C (lit.)

官能团:

ketone

InChI:

1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2

InChI:

1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3/i2D,3D,4D,5D

InChI:

1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2

InChI:

1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3

InChI key:

GDSIBPPJKSBCMF-UHFFFAOYSA-N

InChI key:

BUZYGTVTZYSBCU-QFFDRWTDSA-N

InChI key:

GDSIBPPJKSBCMF-UHFFFAOYSA-N

InChI key:

XWCIICLTKWRWCI-UHFFFAOYSA-N

同位素纯度:

98 atom % D

同位素纯度:

质量偏移:

M+4

质量偏移:

mp:

218-222 °C
219-221 °C (lit.)

mp:

14-18 °C (lit.)

mp:

219-221 °C (lit.)

mp:

表单:

solid

表单:

liquid

折射率:

n20/D 1.5549 (lit.)

折射率:

n20/D 1.517 (lit.)
n20/D 1.517

SMILES字符串:

O.CC(=O)c1c(O)cc(O)cc1O

SMILES字符串:

[2H]c1c([2H])c(c([2H])c([2H])c1Cl)C(C)=O

SMILES字符串:

O.CC(=O)c1c(O)cc(O)cc1O

SMILES字符串:

CC(=O)c1c(C)cc(C)cc1C

适用性:

in accordance for UV test
suitable for matrix substance for MALDI-MS

适用性:

技术:

MALDI-MS: suitable

技术:

质量水平:

质量水平:

质量水平:

质量水平:

Usage and Safety

Risk and Safety

象形图: GHS07

警示用语：:

Warning

危险声明: H315,H319,H335

预防措施声明: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

危险分类:

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官:

Respiratory system

储存分类代码:

11 - Combustible Solids

WGK:

WGK 3

闪点(°F):

Not applicable

闪点(°C):

Not applicable

个人防护装备:

dust mask type N95 (US), Eyeshields, Gloves

象形图: GHS06,GHS05

警示用语：:

Danger

危险声明: H302,H315,H318,H330,H335

预防措施声明: P260 - P280 - P284 - P305 + P351 + P338 - P310

危险分类:

Acute Tox. 2 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2 - STOT SE 3

储存分类代码:

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK:

WGK 1

闪点(°F):

194.0 °F - closed cup

闪点(°C):

90.00 °C - closed cup

象形图: GHS07

警示用语：:

Warning

危险声明: H315,H319,H335

预防措施声明: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

危险分类:

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官:

Respiratory system

储存分类代码:

11 - Combustible Solids

WGK:

WGK 3

闪点(°F):

Not applicable

闪点(°C):

Not applicable

个人防护装备:

dust mask type N95 (US), Eyeshields, Gloves

储存分类代码:

10 - Combustible liquids

WGK:

WGK 3

闪点(°F):

235.4 °F - closed cup

闪点(°C):

113 °C - closed cup

个人防护装备:

Eyeshields, Gloves