CAS 26118-67-2 Isopropylsulphamoyl chloride (HCID 117737)

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Basic information

CAS: 26118-67-2
Standard SMILES: CC(C)NS(=O)(=O)Cl
InChIKey: AGRDPCWQGGNEQL-UHFFFAOYSA-N
Molecular formula: C3H8ClNO2S
Average molar mass: 157.62 g/mol
Monoisotopic mass: 156.99642718

Names & identifiers

Preferred name: Isopropylsulphamoyl chloride
IUPAC: N-propan-2-ylsulfamoyl chloride
English name: isopropylsulphamoyl chloride
Molecular formula: C3H8ClNO2S
Molecular weight: 157.62

Names & synonyms

Isopropylsulphamoyl chlorideSulfamoyl chloride, (1-methylethyl)-N-isopropylsulfamoyl chlorideSulfamoyl chloride, N-(1-methylethyl)-CN52HES8UVEINECS 247-472-6DTXSID5067180N-(1-METHYLETHYL)SULFAMOYL CHLORIDERefChem:201310DTXCID0037447247-472-6Isopropylsulfamoyl chloride

Show more names

N-IsopropylchlorosulfonamideIsopropylaminosulfonyl chloride(1-METHYLETHYL) SULFAMOYL CHLORIDEisopropylsulphamoyl chloride ISO 9001：2015 REACH8-(3-bicyclo[2.2.1]heptanylamino)-7-chloroquinoline-5,6-dione

26118-67-2N-propan-2-ylsulfamoyl chlorideIsopropylaminosulfonic AcidMFCD09753748N-(propan-2-yl)sulfamoyl chlorideisopropylsulfamyl chlorideIsopropylsulfamoylChloride(1-Methylethyl)sulfamoyl chloride

Database identifiers

CAS: 26118-67-2
PubChem CID: 117737
DTXSID: DTXSID5067180
UNII: CN52HES8UV
EC Number: 247-472-6
Nikkaji: J308.391H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 145

Physicochemical properties

Boiling point: 212 ℃ · 212℃
Density: 1.317 · 1.317
Flash point: 82 ℃ · 82℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in DCM, Diethyl Ether
form: oil
pka: 7.53 · 7.53±0.40(Predicted)
color: Yellow
FDA UNII: 52 HES8UV · CN52HES8UV
EPA Substance Registry System: Sulfamoyl chloride, (1-methylethyl)- (26118-67-2)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310
TSCA: TSCA listed
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): 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, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

tsca: TSCA listed
hs_code: 2935909099
Signal word: Danger
Symbol(GHS): GHS05
hazard_class: IRRITANT
Hazard statements: H314
Precautionary statements: P260-P280-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310