3-(4-Nitrophenyl)propiolic acid

HCID 247394
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Basic information

CAS
2216-24-2
Standard SMILES
O=C(O)C#Cc1ccc([N+](=O)[O-])cc1
InChIKey
SMMZCQTZVBTDLS-UHFFFAOYSA-N
Molecular formula
C9H5NO4
Average molar mass
191.14 g/mol
Monoisotopic mass
191.02185764

Names & identifiers

Preferred name
3-(4-Nitrophenyl)propiolic acid
IUPAC
3-(4-nitrophenyl)prop-2-ynoic acid
English name
(4-NITROPHENYL)PROPIOLIC ACID
Molecular formula
C9H5NO4
Molecular weight
191.14

Names & synonyms

2216-24-23-(4-Nitrophenyl)propiolic acid(4-NITROPHENYL)PROPIOLIC ACID3-(4-nitrophenyl)prop-2-ynoic acidNSC61874NSC 61874p-NitrophenylpropiolsaureCambridge id 51925914-nitro-phenylpropiolic acidOprea1_581849CBDivE_003916SCHEMBL1982414
Show more names
3-(4-Nitrophenyl)-p-Nitrophenylpropiolic acid(p-Nitrophenyl)propiolic acid(4-Nitro-phenyl)-propynoic acid3-(4-nitrophenyl)prop-2-ynoicaci2-Propynoic acid, 3-(4-nitrophenyl)-
3-(4-Nitrophenyl)propiolicacidCHEMBL1980662DTXSID50289545p-NitrophenylpropiolsA currencyureMFCD00463895NSC-618743-{4-nitrophenyl}-2-propynoic acidAKOS006275257

Database identifiers

CAS
2216-24-2
PubChem CID
247394
DTXSID
DTXSID50289545
ChEMBL
CHEMBL1980662
Nikkaji
J95.078E

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point
178 · 178-185°C
Boiling point
402.8 · 402.8±37.0 °C(Predicted)
Density
1.47 · 1.47±0.1 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

Uses(4-Nitrophenyl)propiolic Acid (cas# 2216-24-2) is a compound useful in organic synthesis.

Upstream & downstream products

Downstream products

Suppliers18 total

武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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