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N-methyl-N-propylsulfamoyl chloride

HCID 12919367
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Basic information

CAS
263169-12-6
Standard SMILES
CCCN(C)S(=O)(=O)Cl
InChIKey
MHIVSJQHEDZPPG-UHFFFAOYSA-N
Molecular formula
C4H10ClNO2S
Average molar mass
171.65 g/mol
Monoisotopic mass
171.0120774

Names & identifiers

Preferred name
N-methyl-N-propylsulfamoyl chloride
IUPAC
N-methyl-N-propylsulfamoyl chloride
English name
Methylpropylsulfamoylchloride
Molecular formula
C4H10ClNO2S
Molecular weight
171.65

Names & synonyms

N-methyl-N-propylsulfamoyl chloride263169-12-6RefChem:830649852-615-6Methyl(propyl)sulfamoyl chlorideMFCD11627127MethylpropylsulfamoylchlorideMethyl(propyl)sulfamoylchlorideSCHEMBL8172225AKOS009413381SY139480EN300-110175
Show more names
63169-12-6Sulfamoyl chloride, N-methyl-N-propyl-
G42253

Database identifiers

CAS
263169-12-6
PubChem CID
12919367
EC Number
852-615-6

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
160

Physicochemical properties

Boiling point
223.6 · 223.6±9.0 °C(Predicted)
Density
1.278 · 1.278±0.06 g/cm3(Predicted)
pka
-8.25 · -8.25±0.70(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
314 · H314-H335
Precautionary statements
260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H314-H335
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

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Compound notes

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