CAS 111124-90-4 1-methyl-1H-imidazole-4-sulfonamide (HCID 2736885)

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Basic information

CAS: 111124-90-4
Standard SMILES: Cn1cnc(S(N)(=O)=O)c1
InChIKey: QBJSSOBNVYDCDQ-UHFFFAOYSA-N
Molecular formula: C4H7N3O2S
Average molar mass: 161.19 g/mol
Monoisotopic mass: 161.02589746

Names & identifiers

Preferred name: 1-methyl-1H-imidazole-4-sulfonamide
IUPAC: 1-methylimidazole-4-sulfonamide
English name: 1-METHYL-1H-IMIDAZOLE-4-SULFONAMIDE
Molecular formula: C4H7N3O2S
Molecular weight: 161.18

Names & synonyms

1-methyl-1H-imidazole-4-sulfonamideRefChem:433835673-090-81-methylimidazole-4-sulfonamide111124-90-41-methyl-1h-imidazole-4-sulphonamideMFCD020913821H-Imidazole-4-sulfonamide,1-methyl-MixCom1_000094Maybridge1_000050SPR_7SCHEMBL50543

Show more names

BUTTPARK 27\06-121-methyl-4-imidazolesulfonamide1-METHYLIMIDAZOLE-4-SULPHONAMIDE1-Methyl-1H-imidazole-4-sulphonamide97%1H-Imidazole-4-sulfonamide,1-methyl-(9CI)1-Methyl-4-sulphamoyl-1H-imidazole, 4-(Aminosulphonyl)-1-methyl-1H-imidazole

SCHEMBL4200114BDBM36003DTXSID10371677QBJSSOBNVYDCDQ-UHFFFAOYSA-NLEA12490CCG-40808SBB0875261-methyl-1H-imidazol-4-ylsulfonamide

Database identifiers

CAS: 111124-90-4
PubChem CID: 2736885
DTXSID: DTXSID10371677
EC Number: 673-090-8

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 86.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 222 °C · 222 °C
Boiling point: 457 · 457.0±37.0 °C(Predicted)
Density: 1.61 · 1.61±0.1 g/cm3(Predicted)
pka: 9.58 · 9.58±0.60(Predicted)
form: powder
color: White
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H312-H314-H332
Precautionary statements: 260 · P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39
RIDADR: 1759 · UN1759
HazardClass: 8 · 8
HS Code: 2933299090 · 2933299090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2A (100%)

Safety data

ridadr: UN1759
hs_code: 2933299090
risk_code: 36/37/38-36
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 8
Hazard statements: H302-H312-H314-H332
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P260-P261-P264-P270-P271-P280-P301+P312-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P310-P312-P321-P322-P330-P363-P405-P501