3-Chloropropane-1-sulfonamide

HCID 13614818

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Basic information

CAS: 35578-28-0
Standard SMILES: NS(=O)(=O)CCCCl
InChIKey: QMSSNRWVQWLVHG-UHFFFAOYSA-N
Molecular formula: C3H8ClNO2S
Average molar mass: 157.62 g/mol
Monoisotopic mass: 156.9964274

Names & identifiers

Preferred name: 3-Chloropropane-1-sulfonamide
IUPAC: 3-chloropropane-1-sulfonamide
English name: 3-Chloropropane-1-sulfonaMide
Molecular formula: C3H8ClNO2S
Molecular weight: 157.62

Names & synonyms

3-chloropropane-1-sulfonamide35578-28-0DTXSID80545065RefChem:278630DTXCID40495850830-583-4MFCD121072543-chloro-1-Propanesulfonamide3-chloropropylsulfonamide3-chloropropanesulfonamide3-chloro-propane-1-sulfonic acid amideSCHEMBL249264

Show more names

1-Propanesulfonamide, 3-chloro-Sulfamethoxypyridazine Impurity 1

AS-54744SY096634CS-0145618EN300-66521FT-0752692SCHEMBL1446423KBA57828VT1073

Database identifiers

CAS: 35578-28-0
PubChem CID: 13614818
DTXSID: DTXSID80545065
EC Number: 830-583-4
Nikkaji: J688.921B

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 63 °C · 63 °C
Boiling point: 297.8 · 297.8±42.0 °C(Predicted)
Density: 1.38 · 1.380±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 10.54 · 10.54±0.60(Predicted)
form: solid
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2935909099 · 2935909099

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.