2,2,2-Trifluoroethanesulfonyl chloride

HCID 74242

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1648-99-3
Standard SMILES: O=S(=O)(Cl)CC(F)(F)F
InChIKey: CXCHEKCRJQRVNG-UHFFFAOYSA-N
Molecular formula: C2H2ClF3O2S
Average molar mass: 182.55 g/mol
Monoisotopic mass: 181.94161264

Names & identifiers

Preferred name: 2,2,2-Trifluoroethanesulfonyl chloride
IUPAC: 2,2,2-trifluoroethanesulfonyl chloride
English name: 2,2,2-TRIFLUOROETHANESULFONYL CHLORIDE
Molecular formula: C2H2ClF3O2S
Molecular weight: 182.55

Names & synonyms

2,2,2-Trifluoroethanesulfonyl chloride1648-99-3Ethanesulfonyl chloride, 2,2,2-trifluoro-DTXSID00167809RefChem:80802DTXCID8090300216-713-7Tresyl chloride2,2,2-trifluoroethane-1-sulfonyl chlorideMFCD000074582,2,2-TRIFLUOROETHANESULPHONYL CHLORIDE(2,2,2-Trifluoroethyl)sulphonyl chloride

Show more names

2,2,2-TRIFLUOROETHANESULFONYL CHLORIDE 99%2,2,2-Trifluoroethanesulfonyl chloride,99%

C2H2ClF3O2S2,2,2-TRIFLUOROETHYLSULFONYL CHLORIDE2,2,2-Trifluoroethanesulfonylchloridetimtec-bb sbb006545EINECS 216-713-7CF3CH2SO2Cl2,2,2-trifluoroethane-sulfonicacid,chlorideSCHEMBL17744

Database identifiers

CAS: 1648-99-3
PubChem CID: 74242
DTXSID: DTXSID00167809
EC Number: 216-713-7
Nikkaji: J195.283H

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 175

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point: 140 · 140-141 °C (lit.) 64-67 °C/45 mmHg (lit.)
Density: 1.651 g/mL · 1.651 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.388(lit.)
Flash point: 162 °F · 162 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless
Sensitive: moisture sensitive
BRN: 1860983 · 1860983
InChI: 1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2
InChIKey: CXCHEKCRJQRVNG-UHFFFAOYSA-N
SMILES: FC(F)(F)CS(Cl)(=O)=O
CAS DataBase Reference: 1648 · 1648-99-3(CAS DataBase Reference)
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-19-21
Hazard Note: Corrosive
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29049090 · 29049090
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 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)

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 45 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

F: 3-10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29049090
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
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-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Suppliers52 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

常州新氟化学有限公司13275212658 · [email protected]

Syntechem Co.,Ltd[email protected]

武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Related reactions

117 records

New reaction record

HRID 9253As reactantuspto-grants-2006_08

HRID 88344As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113104As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 122899As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126477As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 160184As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 174861As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 179597As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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