CAS 127163-51-3 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride (HCID 2774064)

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Basic information

CAS: 127163-51-3
Standard SMILES: O=C(Cl)c1ccc2c(c1)OC(F)(F)O2
InChIKey: TWAYOQDEKAESKD-UHFFFAOYSA-N
Molecular formula: C8H3ClF2O3
Average molar mass: 220.56 g/mol
Monoisotopic mass: 219.97387808

Names & identifiers

Preferred name: 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride
IUPAC: 2,2-difluoro-1,3-benzodioxole-5-carbonyl chloride
English name: 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride
Molecular formula: C8H3ClF2O3
Molecular weight: 220.56

Names & synonyms

127163-51-32,2-difluoro-1,3-benzodioxole-5-carbonyl chlorideDTXSID10378868RefChem:243273DTXCID10329895810-724-62,2-Difluorobenzo[d][1,3]dioxole-5-carbonyl chlorideMFCD016314751,3-Benzodioxole-5-carbonyl chloride, 2,2-difluoro-2,2-difluorobenzodioxole-5-carbonylchloride2,2-Difluoro-1,3-benzodioxole-5-carbonylchloride1,3-Benzodioxole-5-carbonylchloride, 2,2-difluoro-

Show more names

2,2-DIFLUO-1,3-BENZODIOXOLE-5-CARBONYL CHLORIDE2,2-difluorobenzo[1,3]dioxole-5-carbonyl chlorideSCHEMBL12570502,2-difluoro-1,3-benzodioxole-5-carbonyl chloride 97%SBB096034AKOS0158532925-(chlorocarbonyl)-2,2-difluoro-1,3-benzodioxole, 3,4-(difluoromethylenedioxy)benzoyl chlorideBS-20558

Database identifiers

CAS: 127163-51-3
PubChem CID: 2774064
DTXSID: DTXSID10378868
EC Number: 810-724-6

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 259

Physicochemical properties

refractive index: 1.5095 · 1.5095
form: liquid
color: colourless
CAS DataBase Reference: 127163 · 127163-51-3(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P271-P280
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
HazardClass: CORROSIVE
HS Code: 2932990090 · 2932990090

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.