HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-Chloro-1,2,2-trifluorocyclobutane

HCID 79091
New noteNew reactionRequest quotes
Print preview
Basic informationOverviewNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
661-71-2
Standard SMILES
FC1(F)CCC1(F)Cl
InChIKey
ZZQYDYODFHABLC-UHFFFAOYSA-N
Molecular formula
C4H4ClF3
Average molar mass
144.52 g/mol
Monoisotopic mass
143.9953623

Overview

structure given in first source

Names & identifiers

Preferred name
1-Chloro-1,2,2-trifluorocyclobutane
IUPAC
1-chloro-1,2,2-trifluorocyclobutane
English name
1-Chloro-1,2,2-trifluorocyclobutane
Molecular formula
C4H4ClF3
Molecular weight
144.52

Names & synonyms

1-Chloro-1,2,2-trifluorocyclobutane661-71-21-CtfcbDTXSID40984597RefChem:75310DTXCID201411810Cyclobutane, 1-chloro-1,2,2-trifluoro-MFCD00042139SCHEMBL648167GTPL2400SCHEMBL3123282SCHEMBL7686944
Show more names
dioctacosyl hydrogen phosphate1,1,2-Trifluoro-2-chlorocyclobutane1,2,2-TRIFLUORO-1-CHLOROCYCLOBUTANE1-Chloro-1,2,2-trifluorocyclobutane97%1-Chloro-1,2,2-trifluorocyclobutane 97%
SBB086362AKOS0062306001-chloranyl-1,2,2-tris(fluoranyl)cyclobutaneQ27077273

Database identifiers

CAS
661-71-2
PubChem CID
79091
DTXSID
DTXSID40984597
EC Number
680-697-1
Nikkaji
J364.592D

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
8
Formal charge
0
Complexity
114

Physicochemical properties

Boiling point
81 °C · 81°C
Density
1 · 1,34 g/cm3
refractive index
1.357 · 1.357
Flash point
81 °C · 81°C
Specific Gravity
1.34 · 1.340
BRN
1902628 · 1902628
CAS DataBase Reference
661 · 661-71-2(CAS DataBase Reference)
Symbol(GHS)
2 · GHS02
Hazard statements
226 · H226
Precautionary statements
210 · P210-P240-P241-P280a-P303+P361+P353-P501a
Hazard Codes
F
Risk Statements
10 · 10
Safety Statements
16 · 16-23-36/37/39
RIDADR
1993 · 1993
Hazard Note
Flammable
HazardClass
3 · 3
PackingGroup
III

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.

Safety data

ridadr
1993
hs_code
2914290090
risk_code
10
Symbol(GHS)
GHS02
hazard_code
F
hazard_note
Flammable
safety_code
16-23-36/37/39
hazard_class
3
packing_group
III
Hazard statements
H226
Precautionary statements
P210-P240-P241-P280a-P303+P361+P353-P501a

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes
HS Code
2914290090 · 2914290090