Cas no 90980-78-2 (Acetic-1-13C acid,1,1'-anhydride)

Acetic-1-13C acid,1,1'-anhydride is a stable isotopic-labeled compound used primarily as a reagent in nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry applications. The incorporation of a 13C isotope at the carbonyl carbon enhances signal detection and quantification in metabolic studies and tracer experiments. The anhydride form offers improved reactivity for acylation reactions, facilitating efficient derivatization in synthetic chemistry. This compound is particularly valuable in research involving isotopic labeling for mechanistic investigations or kinetic studies. Its high isotopic purity and consistent performance make it a reliable choice for analytical and synthetic applications requiring precise isotopic enrichment.

Acetic-1-13C acid,1,1'-anhydride structure

90980-78-2 structure

Product Name:Acetic-1-13C acid,1,1'-anhydride

CAS No:90980-78-2

MF:C₄H₆O₃

MW:104.073951244354

CID:799070

PubChem ID:24872308

Update Time:2025-10-19

Acetic-1-13C acid,1,1'-anhydride Chemical and Physical Properties

Names and Identifiers

- Acetic-1-13C acid,1,1'-anhydride
- Acetic Anhydride (1,1-13C2)
- Acetic Anhydride-1,1’-13C2
- 13C Labeled acetic anhydride
- Acetic-1-13Cacid, anhydride (7CI,9CI)
- Acetic-1-13C acid, anhydride (7CI, 9CI)
- Acetic anhydride-1,1'-13C2
- 90980-78-2
- Acetic anhydride(1,1-13c2)
- SCHEMBL1331774
- Acetic anhydride-1,1'-13C2, 99 atom % 13C
- ACETIC ANHYDRIDE (1,1'-13C2, 99%)
- MDL： MFCD00083862
- Inchi： 1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i3+1,4+1
- InChI Key： WFDIJRYMOXRFFG-CQDYUVAPSA-N
- SMILES： O([13C](=O)C)[13C](=O)C

Computed Properties

Exact Mass: 104.03840372g/mol
Monoisotopic Mass: 104.03840372g/mol
Isotope Atom Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 7
Rotatable Bond Count: 2
Complexity: 83.1
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Surface Charge: 0
Tautomer Count: nothing
XLogP3: -0.1
Topological Polar Surface Area: 43.4?2

Experimental Properties

Color/Form: colorless liquid
Density: 1.101?g/mL?at 25?°C
Melting Point: -73?°C (lit.)
Boiling Point: 138-140?°C(lit.)
Flash Point: Fahrenheit: 120.2 ° f
Celsius: 49 ° c
Refractive Index: n20/D 1.39(lit.)

Acetic-1-13C acid,1,1'-anhydride Security Information

Symbol:
Signal Word：Danger
Hazard Statement： H226-H302 + H332-H314
Warning Statement： P210-P260-P280-P303+P361+P353-P305+P351+P338-P370+P378
Hazardous Material transportation number：UN 1715 3(8) / PGII
WGK Germany：1
Hazard Category Code： 10-20/22-34
Safety Instruction： 26-36/37/39-45
Hazardous Material Identification：
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

Acetic-1-13C acid,1,1'-anhydride Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd.	487813-500MG	Acetic-1-13C acid,1,1'-anhydride	90980-78-2		500mg	￥3203.48	2023-12-05
SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd.	SA00030-500mg	Acetic-1-13C acid,1,1'-anhydride	90980-78-2	99% (CP)	500mg	￥6558.0	2024-07-19
A2B Chem LLC	AH86814-500mg	ACETIC ANHYDRIDE (1,1'-13C2)	90980-78-2	98%	500mg	$481.00	2024-05-20
A2B Chem LLC	AH86814-1g	ACETIC ANHYDRIDE (1,1'-13C2)	90980-78-2	98%	1g	$812.00	2024-05-20

Acetic-1-13C acid,1,1'-anhydride Production Method

Production Method 1

1563-79-7

90980-78-2

Reaction Conditions

1.1 Reagents: 1-Ethyl-3-(3′-dimethylaminopropyl)carbodiimide hydrochloride Solvents: Dichloromethane ; 1 h, rt

Reference

: Efficient diversification of GM3 gangliosides via late-stage sialylation and dynamic glycan structural studies with 19F solid-state NMR

Takahashi, Maina; Shirasaki, Junya; Komura, Naoko; Sasaki, Katsuaki; Tanaka, Hide-Nori; et al, Organic & Biomolecular Chemistry, 2020, 18(15), 2902-2913