(13C)formaldehyde

• ChemBase ID: 134825
• Molecular Formular: CH2O
• Molecular Mass: 31.01863484
• Monoisotopic Mass: 31.01391952
• SMILES: [13CH2]=O
• Canonical SMILES: [13CH2]=O
• InChI: InChI=1S/CH2O/c1-2/h1H2/i1+1
• InChIKey: WSFSSNUMVMOOMR-OUBTZVSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C)formaldehyde
• IUPAC Traditional name: (^1^3C)formaldehyde
• Synonyms: 13C and deuterium labeled formaldehyde; Formalin-13C,d2; Formaldehyde-13C, d2 solution; Formalin-13C; Formaldehyde-13C solution; 甲醛-13C, d2 溶液; 福尔马林-13C; 甲醛-13C 溶液

Database IDs

• CAS Number: 63101-50-8; 3228-27-1
• MDL Number: MFCD08702814; MFCD00144372
• PubChem SID: 162229101; 24872481
• PubChem CID: 11029752

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.46697542
• LogD (pH = 7.4): -0.46697542
• Log P: -0.46697542
• Molar Refractivity: 6.307 cm^3
• Polarizability: 2.676496 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 113 °C; 235.4 °F
• Vapor Pressure: 52 mmHg ( 37 °C)
• Mass Shift: M+1; M+3

Safety Information

• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• German water hazard class: 2; 3
• Risk Statements: 20/21/22-34-40-43-68; 20/21/22-36/37/38-40-43
• Safety Statements: 26-36/37; 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H302-H312-H314-H332-H334-H341-H351; H302-H312-H315-H317-H319-H332-H335-H351
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P280-P305 + P351 + P338-P310

Product Information

• Concentration: 20 wt. % in D2O; 20 wt. % in H2O
• Isotopic Purity: 98 atom % D; 99 atom % 13C
• Mol. Weight: mol wt 31.01 by atom % calculation; mol wt 33.00 by atom % calculation
• Linear Formula: D13CDO; H13CHO

DETAILS

Sigma Aldrich - 489417

Packaging
1 g in ampule
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 596388

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.