morpholine-4-carbonyl chloride

• ChemBase ID: 92307
• Molecular Formular: C5H8ClNO2
• Molecular Mass: 149.57552
• Monoisotopic Mass: 149.02435618
• SMILES: O1CCN(CC1)C(=O)Cl
• Canonical SMILES: ClC(=O)N1CCOCC1
• InChI: InChI=1S/C5H8ClNO2/c6-5(8)7-1-3-9-4-2-7/h1-4H2
• InChIKey: XMWFMEYDRNJSOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-carbonyl chloride
• IUPAC Traditional name: morpholine-4-carbonyl chloride
• Synonyms: 4-Morpholinecarbonyl chloride; morpholine-4-carbonyl chloride; Morpholin-4-ylcarbonyl chloride; 4-吗啉碳酰氯

Database IDs

• CAS Number: 15159-40-7
• EC Number: 239-213-0
• MDL Number: MFCD00037053
• Beilstein Number: 116257
• PubChem SID: 24861562; 162079005
• PubChem CID: 84810

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.20529008
• LogD (pH = 7.4): 0.20529008
• Log P: 0.20529008
• Molar Refractivity: 34.0468 cm^3
• Polarizability: 13.11962 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 137-138 °C/33 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.282 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.498(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-36/38-40
• Safety Statements: 26-30-36-38
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H351
• GHS Precautionary statements: P281-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 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C5H8ClNO2

DETAILS

Sigma Aldrich - 348295

Application
Photographic intermediate
Packaging
25, 100 g in glass bottle