N,N-dimethylsulfamoyl chloride

• ChemBase ID: 123313
• Molecular Formular: C2H6ClNO2S
• Molecular Mass: 143.59254
• Monoisotopic Mass: 142.98077712
• SMILES: S(=O)(=O)(N(C)C)Cl
• Canonical SMILES: CN(S(=O)(=O)Cl)C
• InChI: InChI=1S/C2H6ClNO2S/c1-4(2)7(3,5)6/h1-2H3
• InChIKey: JFCHSQDLLFJHOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylsulfamoyl chloride
• IUPAC Traditional name: sulfamoyl chloride, dimethyl-
• Synonyms: dimethylsulfamoyl chloride; N,N-Dimethylsulfamoyl chloride; N,N-二甲胺基磺酰氯

Database IDs

• CAS Number: 13360-57-1
• EC Number: 236-412-4
• MDL Number: MFCD00007425
• Beilstein Number: 741979
• PubChem SID: 162217666; 24866050; 24893558
• PubChem CID: 83372

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.20367953
• LogD (pH = 7.4): -0.20367953
• Log P: -0.20367953
• Molar Refractivity: 28.6713 cm^3
• Polarizability: 11.825553 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0

PROPERTIES

Physical Property

• Boiling Point: 114 °C/75 mmHg(lit.)
• Flash Point: 201.2 °F; 94 °C
• Density: 1.337 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.452; n20/D 1.452(lit.)

Safety Information

• RTECS: WO7185500
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3390
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1
• Risk Statements: 45-21/22-26-34
• Safety Statements: 53-45
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H330-H350
• GHS Precautionary statements: P201-P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3390 6.1/PG 1

Product Information

• Purity: ≥98.5% (AT); 99%
• Grade: purum
• Linear Formula: (CH3)2NSO2Cl

DETAILS

Sigma Aldrich - D186252

Packaging
25, 100, 500 g in glass bottle