CAS 137049-00-4 1-methyl-1H-imidazole-4-sulfonyl chloride (HCID 2736887)

Names & identifiers

Preferred name: 1-methyl-1H-imidazole-4-sulfonyl chloride
IUPAC: 1-methylimidazole-4-sulfonyl chloride
English name: 1-Methyl-1H-imidazole-4-sulfonyl chloride
Molecular formula: C4H5ClN2O2S
Molecular weight: 180.61

Names & synonyms

1-methyl-1H-imidazole-4-sulfonyl chloride137049-00-4DTXSID30371679RefChem:231486DTXCID40322713673-082-41-methylimidazole-4-sulfonyl Chloride1h-imidazole-4-sulfonyl chloride, 1-methyl-1-methyl-1h-imidazole-4-sulphonyl chlorideMFCD00068060chloro(1-methylimidazol-4-yl)sulfonebuttpark 27\06-11

Show more names

1-Methyl-1H-iMidazol-4-sulfonyl chloride1-Methylimidazole-4-sulfonylchloride,95%

1-methylimidazole-4-sulfonylchloride1-Methylimidazole-4-sulphonyl chloride1h-imidazole-4-sulfonylchloride,1-methyl-4-(Chlorosulphonyl)-1-methyl-1H-imidazole1h-imidazole-4-sulfonylchloride,1-methyl-(9ci)1-methyl-1h-imidazole-4-sulfonyl chloride, 95+%SCHEMBL212457KXUGUWTUFUWYRS-UHFFFAOYSA-N

Database identifiers

CAS: 137049-00-4
PubChem CID: 2736887
DTXSID: DTXSID30371679
EC Number: 673-082-4

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 60.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 210

Physicochemical properties

Melting point: 88 · 88-91°C
Boiling point: 366.9 · 366.9±15.0 °C(Predicted)
Density: 1.6 · 1.60±0.1 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: DMSO (Slightly)
form: Solid
pka: 0.18 · 0.18±0.70(Predicted)
color: White to Off-White
Sensitive: Moisture Sensitive
Stability: Moisture Sensitive
InChI: 1S/C4H5ClN2O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3
InChIKey: KXUGUWTUFUWYRS-UHFFFAOYSA-N
SMILES: Cn1cnc(c1)S(Cl)(=O)=O
CAS DataBase Reference: 137049 · 137049-00-4(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H318
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi,C
Risk Statements: 34 · 34-29-14-36-20/21/22
Safety Statements: 26 · 26-36/37/39-8-45-30-22
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 29332900 · 29332900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

wgk: WGK 3
ridadr: 3261
hs_code: 29332900
risk_code: 34-29-14-36-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 26-36/37/39-8-45-30-22
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a