Basic information
- Standard SMILES
CC1(C)Cc2cccc(Br)c2O1- InChIKey
XTVAFNBOFMUWAK-UHFFFAOYSA-N- Molecular formula
- C10H11BrO
- Average molar mass
- 227.1 g/mol
- Monoisotopic mass
- 225.99932707
Names & identifiers
- Preferred name
- 7-Bromo-2,2-dimethyl-2,3-dihydro-1-benzofuran
- IUPAC
- 7-bromo-2,2-dimethyl-3H-1-benzofuran
- English name
- 7-broMo-2,2-diMethyl-2,3-dihydro-1-benzofuran
- Molecular formula
- C10H11BrO
- Molecular weight
- 227.1
Names & synonyms
7-bromo-2,2-dimethyl-2,3-dihydro-1-benzofuranDTXSID20297455RefChem:545632DTXCID10248592824-588-010178-57-1MFCD118581067-bromo-2,2-dimethyl-3H-1-benzofuran7-BROMO-2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN7-bromo-2,2-dimethyl-3H-benzofuranNSC116035SCHEMBL8897383
Show more names
Benzofuran, 7-bromo-2,3-dihydro-2,2-dimethyl-
XTVAFNBOFMUWAK-UHFFFAOYSA-NAKOS023833206AB64871AT23972NSC-116035BS-13680SY1786307-bromo-2,3-dihydro-2,2-dimethylbenzofuran
Database identifiers
- CAS
10178-57-1- PubChem CID
- 272004
- DTXSID
DTXSID20297455- EC Number
- 824-588-0
- Nikkaji
- J2.994.311G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 261 · 261.0±29.0 °C(Predicted)
- Density
- 1.383 · 1.383±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H315-H312-H319-H332
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
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, P317, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H302-H315-H312-H319-H332
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
8 records
Linked notes
Loading…