2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester

HCID 673658
NotesReactions
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Basic information

CAS
34776-79-9
Standard SMILES
COC(=O)c1ccc(CCl)s1
InChIKey
CWBAQHYKHFVBGR-UHFFFAOYSA-N
Molecular formula
C7H7ClO2S
Average molar mass
190.65 g/mol
Monoisotopic mass
189.98552814

Names & identifiers

Preferred name
2-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl ester
IUPAC
methyl 5-(chloromethyl)thiophene-2-carboxylate

Names & synonyms

methyl 5-(chloromethyl)thiophene-2-carboxylate34776-79-92-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl esterDTXSID601187491RefChem:483786DTXCID101618780869-785-2SCHEMBL1311028SBB000291AKOS000310103DA-32403ST005540
Show more names
EN300-82739

Database identifiers

CAS
34776-79-9
PubChem CID
673658
DTXSID
DTXSID601187491
EC Number
869-785-2

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
11

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

1 records
New reaction record

Compound notes

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