2-(4-Chlorophenyl)-2-propynoic acid

HCID 18607
NotesReactions

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Basic information

CAS
3240-10-6
Standard SMILES
O=C(O)C#Cc1ccc(Cl)cc1
InChIKey
HXUUKDJAFBRYMD-UHFFFAOYSA-N
Molecular formula
C9H5ClO2
Average molar mass
180.59 g/mol
Monoisotopic mass
179.99780708

Names & identifiers

Preferred name
2-(4-Chlorophenyl)-2-propynoic acid
IUPAC
3-(4-Chlorophenyl)prop-2-ynoic acid
English name
Propiolic acid, (p-chlorophenyl)- (8CI)
Molecular formula
C9H5ClO2
Molecular weight
180.59

Names & synonyms

3-(4-chlorophenyl)propiolic acid3-(4-chlorophenyl)prop-2-ynoic acid(4-chlorophenyl)propiolic acid(4-Chlorophenyl)propargylic Acid3-(4-Chlorophenyl)-2-propynoic Acid2-Propynoic acid, 3-(4-chlorophenyl)-Propiolic acid, (p-chlorophenyl)- (8CI)

Database identifiers

CAS
3240-10-6
PubChem CID
18607
DTXSID
DTXSID20186113
ChEMBL
CHEMBL3274820
UNII
4GM85LD7I6
EC Number
841-890-8
Nikkaji
J1.237.317A

Properties

Physicochemical properties

Melting point
192 · 192-193 °C
Boiling point
330.2 · 330.2±34.0 °C(Predicted)
Density
1.4 · 1.40±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
powder to crystal
pka
2.46 · 2.46±0.10(Predicted)

Safety & regulation

Safety data

hs_code
2916399090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H315
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazardous Substances Data
3240-10-6(Hazardous Substances Data)

Chemistry & industry

Upstream & downstream products

Suppliers46 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Shanghai Huici Pharmaceutical Technology Co., LTD+8615601812108 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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