(1R)-1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo(2.2.1)heptan-2-one

HCID 103545CAS 51800-98-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)F
InChIKey
ISLOIHOAZDSEAJ-XGLFCGLISA-N
Molecular formula
C12H15F3O2
Average molar mass
248.24 g/mol
Monoisotopic mass
248.10241438

Names & identifiers

Preferred name
(1R)-1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo(2.2.1)heptan-2-one
IUPAC
(1R,4R)-1,7,7-trimethyl-3-(2,2,2-trifluoroacetyl)bicyclo[2.2.1]heptan-2-one
English name
3-Trifluoroacetyl-D-camphor
Molecular formula
C12H15F3O2
Molecular weight
248.24

Names & synonyms

(+)-3-(Trifluoroacetyl)camphorEINECS 257-429-3(1R)-1,7,7-Trimethyl-3-(trifluoroacetyl)bicyclo(2.2.1)heptan-2-one(1R)-1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-oneRefChem:392778257-429-3MFCD00003746(1R,4R)-1,7,7-TRIMETHYL-3-(2,2,2-TRIFLUOROACETYL)BICYCLO[2.2.1]HEPTAN-2-ONE(+)-3-(Trifluoroacetyl)camphor, 98%DTXSID70966129(1R,4R)-1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-oneAKOS015913656
Show more names
3-Trifluoroacetyl-D-camphor3-Trifluoroacetyl-D-camphor98%3-Trifluoroacetyl-D-camphor 98%(+)-3-(Trifluoroacetyl)camphor 98%(1R,4R)-5-(Trifluoroacetyl)bornane-6-one1,7,7-Trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one(1R,4R)-3-(Trifluoroacetyl)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-one
G77253(1R,4R)-1,7,7-trimethyl-3-(2,2,2-trifluoroacetyl)norbornan-2-one

Database identifiers

CAS
51800-98-7
PubChem CID
103545
DTXSID
DTXSID70966129
EC Number
257-429-3
Nikkaji
J294.916D

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
17

Physicochemical properties

Boiling point
100 · 100-101 °C16 mm Hg(lit.)
Density
1.172 g/mL · 1.172 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.451(lit.)
Flash point
180 °F · 180 °F
form
liquid
optical activity
19 · [α]19/D +148°, c = 2.3 in methylene chloride

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
hs_code
29147000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

Uses(+)-3-(Trifluoroacetyl)camphor is a trifluoroacetylated camphor derivative compound.

Upstream & downstream products

Suppliers22 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]
江西凯信生物医药有限公司0797-2111676 18890136722
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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