CAS 64205-92-1 4,5-dihydro-1H-imidazole-2-sulfonic acid (HCID 274561)

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Basic information

CAS: 64205-92-1
Standard SMILES: O=S(=O)(O)C1=NCCN1
InChIKey: JTRHTNVGGLWMFV-UHFFFAOYSA-N
Molecular formula: C3H6N2O3S
Average molar mass: 150.16 g/mol
Monoisotopic mass: 150.00991305

Names & identifiers

Preferred name: 4,5-dihydro-1H-imidazole-2-sulfonic acid
IUPAC: 4,5-dihydro-1H-imidazole-2-sulfonic acid
English name: 4,5-Dihydro-1H-imidazole-2-sulfonic acid
Molecular formula: C3H6N2O3S
Molecular weight: 150.16

Names & synonyms

4,5-dihydro-1H-imidazole-2-sulfonic acid64205-92-1DTXSID30298115RefChem:1069380DTXCID20249252MFCD03426388C3H6N2O3S2-imidazoline-2-sulfonic acidNSC120654AC-66464,5-Dihydro-1H-imidazole-2-sulfonicacidimidazoline-2-sulfonic acid

Show more names

1H-Imidazole-2-sulfonic acid, 4,5-dihydro-

imidazoline-2-sulphonic acidSCHEMBL560406JTRHTNVGGLWMFV-UHFFFAOYSA-NAKOS006344709NSC-120654AS-37383SY238521CS-0110080

Database identifiers

CAS: 64205-92-1
PubChem CID: 274561
DTXSID: DTXSID30298115
EC Number: 672-373-3
Nikkaji: J1.760.905J

Properties

Computed structural properties

XLogP: -1.6
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 224

Physicochemical properties

Melting point: 140 · 140-145 °C
Density: 1.89 · 1.89±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 9.71 · 9.71±0.40(Predicted)
Appearance: Off-white to light yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H332-H335
Precautionary statements: P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501