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Key Documents

01230

Sigma-Aldrich

Acetyl isothiocyanate

≥97.0% (GC)

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About This Item

線性公式:
CH3CON=C=S
CAS號碼:
分子量::
101.13
Beilstein:
635801
MDL號碼:
分類程式碼代碼:
12352106
PubChem物質ID:
NACRES:
NA.26

化驗

≥97.0% (GC)

形狀

liquid

折射率

n20/D 1.532

bp

132-133 °C (lit.)

密度

1.151 g/mL at 20 °C (lit.)

儲存溫度

−20°C

SMILES 字串

CC(=O)N=C=S

InChI

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

InChI 密鑰

VITFJKNVGRZRKB-UHFFFAOYSA-N

象形圖

Skull and crossbonesHealth hazard

訊號詞

Danger

危險分類

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

標靶器官

Respiratory system

安全危害

儲存類別代碼

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

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

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


分析證明 (COA)

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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
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
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

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