chloro(propan-2-yl)magnesium

• ChemBase ID: 136888
• Molecular Formular: C3H7ClMg
• Molecular Mass: 102.84568
• Monoisotopic Mass: 102.0086696
• SMILES: CC(C)[Mg]Cl
• Canonical SMILES: Cl[Mg]C(C)C
• InChI: InChI=1S/C3H7.ClH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
• InChIKey: GPIBKUJXKCEZOH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(propan-2-yl)magnesium
• IUPAC Traditional name: chloro(isopropyl)magnesium
• Synonyms: Isopropylmagnesium chloride solution; 异丙基氯化镁 溶液

Database IDs

• CAS Number: 1068-55-9
• MDL Number: MFCD00000466
• Beilstein Number: 4124221
• PubChem SID: 24855565; 24855564; 24853775; 162231155; 24877720; 24853433
• PubChem CID: 101955

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0008
• LogD (pH = 7.4): 1.0008
• Log P: 1.0008
• Molar Refractivity: 21.0282 cm^3
• Polarizability: 10.105461 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 256 °C
• Flash Point: 1 °F; 1.4 °F; -17 °C; 22 °C; -40 °C; -40 °F; 71.6 °F
• Density: 0.83 g/mL at 20 °C; 0.834 g/mL at 25 °C; 0.964 g/mL at 25 °C; 0.975 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 3399
• German water hazard class: 1; 3
• Hazard Class: 4.3
• Packing Group: 1; 2
• Risk Statements: 10-14/15-34; 11-14/15-19-22-34-67; 11-14/15-19-34; 11-14/15-19-34-37; 12-14/15-19-22-34-67
• Safety Statements: 16-26-33-36/37/39-43.4-45; 16-26-36/37/39-43-45; 26-36/37/39-43-45; 9-16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H260-H302-H314-H336; H225-H260-H302-H314-H336; H225-H261-H314; H225-H261-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422; P210-P231 + P232-P261-P280-P305 + P351 + P338-P422; P210-P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1; UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: ~2.0 M in diethyl ether; 1.4 M in butyl diglyme; 2.0 M in diethyl ether; 2.0 M in THF
• Grade: technical
• Linear Formula: (CH3)2CHMgCl

DETAILS

Sigma Aldrich - 224383

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 257028

Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 529931

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 257036

Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 230111

Packaging
4×25, 100, 800 mL in Sure/Seal™