N,N-Diethyl-3,6-difluorophthalamic acid

HCID 688183
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Basic information

CAS
131401-56-4
Standard SMILES
CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)O
InChIKey
DYPGXWRGWRATMM-UHFFFAOYSA-N
Molecular formula
C12H13F2NO3
Average molar mass
257.236 g/mol
Monoisotopic mass
257.08634972

Names & identifiers

Preferred name
N,N-Diethyl-3,6-difluorophthalamic acid
IUPAC
2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid
English name
N,N-DIETHYL-3,6-DIFLUOROPHTHALAMIC ACID
Molecular formula
C12H13F2NO3
Molecular weight
257.23

Names & synonyms

N,N-DIETHYL-3,6-DIFLUOROPHTHALAMIC ACID2-(Diethylcarbamoyl)-3,6-difluorobenzoic acidN,N-diethyl-3,6-difluoroaminoformylbenzenemacetic acidBenzoic acid, 2-[(diethylamino)carbonyl]-3,6-difluoro-

Database identifiers

CAS
131401-56-4
PubChem CID
688183
DTXSID
DTXSID80350818
EC Number
622-866-4
Nikkaji
J1.178.446A

Properties

Physicochemical properties

Melting point
163 · 163-165 °C(lit.)
Boiling point
417 · 417.0±45.0 °C(Predicted)
Density
1.294 · 1.294±0.06 g/cm3(Predicted)
solubility
25 mg/mL, · methanol: soluble25mg/mL, clear, colorless
pka
2.36 · 2.36±0.36(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39

Chemistry & industry

Suppliers20 total

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]

Related reactions

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Compound notes

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