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1-methyl-1H-indazole-6-sulfonyl chloride

HCID 83671063
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Basic information

CAS
1520324-06-4
Standard SMILES
Cn1ncc2ccc(S(=O)(=O)Cl)cc21
InChIKey
OYAWYWKCYINDMW-UHFFFAOYSA-N
Molecular formula
C8H7ClN2O2S
Average molar mass
230.67 g/mol
Monoisotopic mass
229.9916763

Names & identifiers

Preferred name
1-methyl-1H-indazole-6-sulfonyl chloride
IUPAC
1-methylindazole-6-sulfonyl chloride

Names & synonyms

1-methyl-1H-indazole-6-sulfonyl chloride1520324-06-4SCHEMBL25248942AT55787

Database identifiers

CAS
1520324-06-4
PubChem CID
83671063
EC Number
171-979-0

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
60.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
314

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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

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Compound notes

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