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Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-difluoro-

HCID 69928906
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
1363380-83-9
Standard SMILES
CC(C)(C)OC(=O)NC1(C(=O)O)CC(F)(F)C1
InChIKey
KEYBLBUGXCHLBX-UHFFFAOYSA-N
Molecular formula
C10H15F2NO4
Average molar mass
251.23 g/mol

Names & identifiers

Preferred name
Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-difluoro-
English name
Cyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-difluoro-
Molecular formula
C10H15F2NO4
Molecular weight
251.23

Names & synonyms

1-(Boc-aMino)-3,3-difluor...l-(BOC-AMINO)-3, 3- DIFLUOROCYCLOBUTANECARBOXYLI C ACID1-{((tert-butoxy)carbonyl)amino}-3,3-difluorocyclobutane-1-1-(Boc-amino)-3,3-difluorocyclobutanecarboxylic acid - B80111-((tertbutyloxycarbonyl)amino)-3,3-difluorocyclobutanemacetic acid1-((tert-Butoxycarbonyl)amino)-3,3-difluorocyclobutanecarboxylic acid1-{[(tert-butoxy)carbonyl]amino}-3,3-difluorocyclobutane-1-carboxylic acidCyclobutanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-difluoro-3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid

Database identifiers

CAS
1363380-83-9
PubChem CID
69928906
EC Number
842-692-4

Properties

Physicochemical properties

Boiling point
364.8 · 364.8±42.0 °C(Predicted)
Density
1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.
0 · Store at 0-8 °C
pka
2.97 · 2.97±0.40(Predicted)
form
powder
color
White
InChI
InChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13-9(6(14)15)4-10(11,12)5-9/h4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKey
KEYBLBUGXCHLBX-UHFFFAOYSA-N
SMILES
C1(NC(OC(C)(C)C)=O)(C(O)=O)CC(F)(F)C1
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code
2922498590 · 2922498590

Safety & regulation

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

Safety data

hs_code
2922498590
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501

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Related reactions

1 records
New reaction record
HRID 1497911 reaction equation
HRID 1497911As reactantuspto-grants-2015_12

Compound notes

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