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2,2-Difluoro-N,N-dimethylacetamide

HCID 6432632
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
667-50-5
Standard SMILES
CN(C)C(=O)C(F)F
InChIKey
IUEWOPMXNADAEB-UHFFFAOYSA-N
Molecular formula
C4H7F2NO
Average molar mass
123.1 g/mol
Monoisotopic mass
123.04957017

Names & identifiers

Preferred name
2,2-Difluoro-N,N-dimethylacetamide
IUPAC
2,2-difluoro-N,N-dimethylacetamide
English name
Acetamide, 2,2-difluoro-N,N-dimethyl-
Molecular formula
C4H7F2NO
Molecular weight
123.1

Names & synonyms

2,2-difluoro-N,N-dimethylacetamide667-50-5DTXSID20424103RefChem:243302DTXCID10374941684-689-9MFCD22053433CF2HCON(CH3)2N,N-Dimethyl-2,2-difluoroacetamidedimethyldifluoroacetamideSCHEMBL310550IUEWOPMXNADAEB-UHFFFAOYSA-N
Show more names
Difluoroacetic acid N,N-dimethylamideAcetamide, 2,2-difluoro-N,N-dimethyl-
AKOS026736341SY521157G28828

Database identifiers

CAS
667-50-5
PubChem CID
6432632
DTXSID
DTXSID20424103
EC Number
684-689-9
Nikkaji
J833.632F

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
92

Physicochemical properties

Boiling point
61 °C · 61 °C(Press: 29 Torr)
Density
1.215 g/cm3 · 1.2150 g/cm3
pka
-1.4 · -1.40±0.70(Predicted)
Symbol(GHS)
5 · GHS05,GHS06
Signal word
Danger
Hazard statements
314 · H314-H301
Precautionary statements
260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
RIDADR
1993 · UN1993
HazardClass
3 · 3
Limited Quantities
5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

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

Danger

H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (95%)

Safety data

ridadr
UN1993
Signal word
Danger
Symbol(GHS)
GHS05,GHS06
hazard_class
3
Hazard statements
H314-H301
Limited Quantities
5.0 L (1.3 gallons) (liquid)
Excepted Quantities
Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Suppliers5 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
杭州孚泽医药科技有限公司0572-0571-82870240 13586109179 · [email protected]
湖南秉航新材料有限公司85521272 18932438858 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]

Related reactions

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Compound notes

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