N,N-bis(2H3)methyl(2H)formamide

• ChemBase ID: 126923
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: C(=O)N(C)C
• Canonical SMILES: O=CN(C)C
• InChI: InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
• InChIKey: ZMXDDKWLCZADIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(^2H₃)methyl(^2H)formamide
• IUPAC Traditional name: deuterated dmf
• Synonyms: Dimethyl formamide-d₇; N,N-Dimethylformamide-d₇; Heptadeutero-N,N-dimethylformamide; Deuterated DMF; DMF-d7; Heptadeutero-N,N-dimethylformamide; N,N-Dimethylformamide-d7; N,N-Dimethylformamide-d; 二甲基甲酰胺(氘代); N,N-二甲基甲酰胺-d7

Database IDs

• CAS Number: 4472-41-7
• EC Number: 224-745-8
• MDL Number: MFCD00003286
• Beilstein Number: 1908468
• PubChem SID: 24856179; 24867655; 24856351; 24851409; 24858688; 162221249
• PubChem CID: 78225
• Chemspider ID: 70601
• Wikipedia Title: Deuterated_DMF

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.63163495
• LogD (pH = 7.4): -0.6316349
• Log P: -0.6316349
• Molar Refractivity: 19.7688 cm^3
• Polarizability: 7.48225 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid; Liquid in prescored ampoules
• Boiling Point: 153 °C(lit.); 153°C; 153°C
• Flash Point: 136.4 °F; 58 °C; 58°C(136°F)
• Density: 1.03 g mL^-1; 1.03 g/mL at 25 °C(lit.); 1.04
• Refractive Index: 1.428; n20/D 1.428(lit.)
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2265; UN2265
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 61-20/21-36; r61, r20/21, r36
• Safety Statements: 53-45; s53, s45
• TSCA Listed: 否
• GHS Pictograms: GHS exclamation mark; GHS health hazard; GHS02; GHS07; GHS08
• GHS Signal Word: DANGER; Danger
• LD50: 1.5–4.72 g kg^-1 (dermal, rabbit); 2.8 g kg^-1 (oral, rat)
• Explode Limits: 2.2–15.2%
• GHS Hazard statements: 312, 319, 332, 360; H226-H312 + H332-H319-H360D; H226-H312-H319-H332-H360D; H312-H319-H332-H360D; H360-H226-H312-H332-H319
• GHS Precautionary statements: 280, 305+351+338, 308+313; P201-P280-P305 + P351 + P338-P308 + P313; P201-P309-P310
• RID/ADR: UN 2265 3/PG 3

Product Information

• Isotopic Purity: 99.5 atom % D
• Packaging: pk of 10 × 0.75 mL; pk of 10 × 1 mL; pk of 5 × 0.5 mL
• Contains: 0.03 % (v/v) TMS; 1 % (v/v) TMS
• Mol. Weight: mol wt 80.15
• Linear Formula: DCON(CD3)2

DETAILS

Sigma Aldrich - 441341

Packaging
10×0.75 mL in ampule

Sigma Aldrich - 308781

Packaging
5×0.5 mL in ampule

Sigma Aldrich - 700428

Packaging
1, 10 g in ampule

Sigma Aldrich - 269905

Packaging
1, 10 g in ampule

Sigma Aldrich - 269808

Packaging
5×1, 10×1 mL in ampule

Sigma Aldrich - 189979

Packaging
1, 10 g in ampule