(chloromethyl)cyclopropane

• ChemBase ID: 146736
• Molecular Formular: C4H7Cl
• Molecular Mass: 90.55138
• Monoisotopic Mass: 90.0236279
• SMILES: C1CC1CCl
• Canonical SMILES: ClCC1CC1
• InChI: InChI=1S/C4H7Cl/c5-3-4-1-2-4/h4H,1-3H2
• InChIKey: ZVTQWXCKQTUVPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (chloromethyl)cyclopropane
• IUPAC Traditional name: chloromethyl-cyclopropane
• Synonyms: (Chloromethyl)cyclopropane; Cylopropylmethyl chloride; (chloromethyl)cyclopropane; (氯甲基)环丙烷

Database IDs

• CAS Number: 5911-08-0
• EC Number: 227-632-1
• MDL Number: MFCD00001307
• Beilstein Number: 635697
• PubChem SID: 24851125; 162240928
• PubChem CID: 80013

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.616592
• LogD (pH = 7.4): 1.616592
• Log P: 1.616592
• Molar Refractivity: 23.2543 cm^3
• Polarizability: 9.195604 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -91 - -89°C; -91°C
• Boiling Point: 87-89 °C(lit.); 87-89°C
• Flash Point: -1°C(30°F); -2 °C; 28.4 °F
• Density: 0.98 g/mL at 25 °C(lit.); 0.980
• Refractive Index: 1.4360; n20/D 1.435(lit.)
• Hydrophobicity(logP): 1.909

Safety Information

• European Hazard Symbols: Flammable (F); X; Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-36/37/38; 11-36/37/38
• Safety Statements: 16-23-26-33-36/37; 16-26-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H315-H319-H335; H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P280H-P243-P305+P351+P338; P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: 95%; 97%
• Linear Formula: C3H5CH2Cl

DETAILS

Sigma Aldrich - 184667

Packaging
1, 10, 50 g in ampule