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Merck
CN

01230

Sigma-Aldrich

Acetyl isothiocyanate

≥97.0% (GC)

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线性分子式:
CH3CON=C=S
CAS号:
分子量:
101.13
Beilstein:
635801
MDL编号:
UNSPSC代码:
12352106
PubChem化学物质编号:
NACRES:
NA.26

质量水平

检测方案

≥97.0% (GC)

形式

liquid

折射率

n20/D 1.532

bp

132-133 °C (lit.)

密度

1.151 g/mL at 20 °C (lit.)

储存温度

−20°C

SMILES字符串

CC(=O)N=C=S

InChI

1S/C3H3NOS/c1-3(5)4-2-6/h1H3

InChI key

VITFJKNVGRZRKB-UHFFFAOYSA-N

象形图

Skull and crossbonesHealth hazard

警示用语:

Danger

危险分类

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

补充剂危害

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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Eva A M Schaefer et al.
Biochemical pharmacology, 85(3), 426-438 (2012-12-12)
TRPA1, a member of the transient receptor potential (TRP) family of cation channels, has mainly been characterized as a chemosensory protein in neuronal cells. TRPA1 is activated by toxic or irritating volatile agents like allyl isothiocyanate (AITC), tear gas, formalin
Stephen Bell
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 61(7), 1471-1477 (2005-04-12)
A wide range of ab initio and hybrid density functional methods and basis sets have been employed to calculate the barriers to methyl internal rotation in a range of molecules with the acetyl moiety. Comparison is made of the computed
B Mo et al.
Analytical biochemistry, 252(1), 169-176 (1997-11-05)
A new derivatizing reagent, acetyl isothiocyanate (AITC), is applied for C-terminal peptide sequencing. It has been successfully used to sequence six C-terminal residues of a synthetic peptide at low nanomole levels. According to the mechanism study of the derivatization of

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