Dodecylsulfonyl chloride

HCID 66280

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Basic information

CAS: 10147-40-7
Standard SMILES: CCCCCCCCCCCCS(=O)(=O)Cl
InChIKey: PBULHKIPTBIZHO-UHFFFAOYSA-N
Molecular formula: C12H25ClO2S
Average molar mass: 268.84 g/mol
Monoisotopic mass: 268.12637872

Names & identifiers

Preferred name: Dodecylsulfonyl chloride
IUPAC: dodecane-1-sulfonyl chloride
English name: 1-Dodecanesulfonyl chloride
Molecular formula: C12H25ClO2S
Molecular weight: 268.84

Names & synonyms

dodecane-1-sulfonyl chloride1-Dodecanesulfonyl chloride10147-40-7dodecylsulfonyl chlorideDTXSID7044500NSC-94098Dodecane-1-sulphonyl chlorideG45GS200PODTXCID5024500EINECS 233-416-8NSC 94098RefChem:590346

Show more names

1-DODECANESULPHONYL CHLORIDEDodecanesulfonylchlorideDodecan-1-sulfonylchloridodecane-1-sulfonylchlorideAmmoniumcarbonateadditiveY-11-Dodecanesulfonic acid chloride1-DODECANESULFONYL CHLORIDE, 98+%1-DODECANESULFONYL CHLORIDE ISO 9001：2015 REACH

C12H25ClO2SMFCD00014728dodecane-1-sulfonylchlorideSCHEMBL744300NSC940981-Dodecanesulfonyl chloride, AldrichCPRCAS-10147-40-7F20459

Database identifiers

CAS: 10147-40-7
PubChem CID: 66280
DTXSID: DTXSID7044500
ChEMBL: CHEMBL3561591
UNII: G45GS200PO
EC Number: 233-416-8
Nikkaji: J227.070F

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 11
Heavy atoms: 16
Formal charge: 0
Complexity: 232

Physicochemical properties

Melting point: 41 · 41-42°C
Boiling point: 126 · 126-130°C 4mm
Density: 1.04 g/cm3 · 1.04 g/cm3
Flash point: 126 · 126-130°C/4mm
form: solid
Sensitive: Moisture Sensitive
BRN: 1778092 · 1778092
InChI: 1S/C12H25ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
InChIKey: PBULHKIPTBIZHO-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCS(Cl)(=O)=O
FDA UNII: 45 GS200PO · G45GS200PO
EPA Substance Registry System: 1 · 1-Dodecanesulfonyl chloride (10147-40-7)
UNSPSC Code: 12352200 · 12352200
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
Risk Statements: 34 · 34-43
Safety Statements: 26 · 26-36/37/39-45-36/37
RIDADR: 3261 · 3261
WGK Germany: 3 · WGK 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Skin Sens. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Danger

H314 (97.7%): 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 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

Safety data

wgk: WGK 3
tsca: TSCA listed
ridadr: 3261
risk_code: 34-43
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
safety_code: 26-36/37/39-45-36/37
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: II
Hazard statements: H314-H318
Hazard Classifications: Skin Sens. 1
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a