CAS 35432-36-1 1-Propanesulfonyl chloride, 2-methyl- (HCID 182236)

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Basic information

CAS: 35432-36-1
Standard SMILES: CC(C)CS(=O)(=O)Cl
InChIKey: NQLNHTOCFWUYQE-UHFFFAOYSA-N
Molecular formula: C4H9ClO2S
Average molar mass: 156.63 g/mol
Monoisotopic mass: 156.00117821

Names & identifiers

Preferred name: 1-Propanesulfonyl chloride, 2-methyl-
IUPAC: 2-methylpropane-1-sulfonyl chloride
English name: Isobutanesulfonyl chloride
Molecular formula: C4H9ClO2S
Molecular weight: 156.63

Names & synonyms

2-methylpropane-1-sulfonyl Chloride35432-36-1Isobutylsulfonyl chloride1-Propanesulfonyl chloride, 2-methyl-2-Methyl-1-propanesulfonyl chlorideDTXSID20188915RefChem:436189DTXCID80111406628-189-0Isobutanesulfonyl chlorideMFCD073698002-Methylpropane-1-sulfonylchloride

Show more names

ISOBUTANESULFONYL CHLORIDE 97Isobutanesulfonyl chloride 97%1-Propanesulfonylchloride, 2-methyl-Isobutanesulfonyl chloride ISO 9001：2015 REACH

2-Methyl-1-propylsulfonyl chloride2-Methyl-propane-1-sulfonyl chlorideSCHEMBL17007Isobutanesulfonyl chloride, 97%2-methyl-1-propanesulphonyl chlorideEN300-61305isobutAS03415

Database identifiers

CAS: 35432-36-1
PubChem CID: 182236
DTXSID: DTXSID20188915
EC Number: 628-189-0
Nikkaji: J1.842.857A

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 8
Formal charge: 0
Complexity: 142

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: 95 °C · 95 °C(Solv: pentane (109-66-0))
Boiling point: 190 °C · 190°C
Density: 1.2 g/mL · 1.200 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.454(lit.)
Flash point: 190 °F · 190 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
color: Colorless
Sensitive: Moisture Sensitive
InChI: 1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3
InChIKey: NQLNHTOCFWUYQE-UHFFFAOYSA-N
SMILES: CC(C)CS(Cl)(=O)=O
UNSPSC Code: 12352100 · 12352100

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: Ⅱ
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405