6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran

HCID 15840550
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Basic information

CAS
174894-80-5
Standard SMILES
CC1(C)CCc2cc(Br)ccc2O1
InChIKey
HOPZMALEQZMIAZ-UHFFFAOYSA-N
Molecular formula
C11H13BrO
Average molar mass
241.12 g/mol

Names & identifiers

Preferred name
6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran
IUPAC
6-bromo-2,2-dimethyl-3,4-dihydrochromene

Names & synonyms

174894-80-56-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyranRefChem:540626836-549-56-bromo-2,2-dimethylchroman6-BROMO-2,2-DIMETHYLCHROMANEMFCD118706672H-1-Benzopyran, 6-bromo-3,4-dihydro-2,2-dimethyl-6-bromo-2,2-dimethyl-3,4-dihydrochromeneSCHEMBL669764SCHEMBL2350567SCHEMBL7299321
Show more names
6-bromo-2,2-dimethyl-chromaneHOPZMALEQZMIAZ-UHFFFAOYSA-NZGA89480AKOS024109482DA-09243SY419328EN300-1230816-bromo-2,2-dimethyl-3,4-dihydro-2H-chromene

Database identifiers

CAS
174894-80-5
PubChem CID
15840550
EC Number
836-549-5
Nikkaji
J966.864K

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
13

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

3 records
New reaction record

Compound notes

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