Methyl 2-chloro-4-ethynylbenzoate

HCID 71306162

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Basic information

CAS: 1224640-19-0
Standard SMILES: C#Cc1ccc(C(=O)OC)c(Cl)c1
InChIKey: GFTHRHCWMLNTGN-UHFFFAOYSA-N
Molecular formula: C10H7ClO2
Average molar mass: 194.61 g/mol

Names & identifiers

Preferred name: Methyl 2-chloro-4-ethynylbenzoate
IUPAC: methyl 2-chloro-4-ethynylbenzoate
English name: 2-Chloro-4-Ethynyl-Benzoic Acid Methyl Ester(WX686208)
Molecular formula: C10H7ClO2
Molecular weight: 194.61

Names & synonyms

Methyl 2-chloro-4-ethynylbenzoate1224640-19-0RefChem:814291893-966-52-Chloro-4-ethynyl-benzoic acid methyl esterMFCD23378507SCHEMBL2333339Methyl2-chloro-4-ethynylbenzoateGFTHRHCWMLNTGN-UHFFFAOYSA-Nmethyl 2-chloro-4-ethynyl-benzoateZYB64019BS-41810

Show more names

Benzoic acid, 2-chloro-4-ethynyl-, methyl ester2-Chloro-4-Ethynyl-Benzoic Acid Methyl Ester(WX686208)

SY126280CS-0036798EN300-1981608F469582A1-01017

Database identifiers

CAS: 1224640-19-0
PubChem CID: 71306162
EC Number: 893-966-5

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 241

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.