Basic information
- CAS
56008-63-0- Standard SMILES
O=Cc1ccc2c(c1Br)OCO2- InChIKey
QBVZVVIMRXNRKU-UHFFFAOYSA-N- Molecular formula
- C8H5BrO3
- Average molar mass
- 229.03 g/mol
- Monoisotopic mass
- 227.94221
Names & identifiers
- Preferred name
- 1,3-Benzodioxole-5-carboxaldehyde, 4-bromo-
- IUPAC
- 4-bromo-1,3-benzodioxole-5-carbaldehyde
- English name
- 4-bromobenzo[d][1,3]dioxole-5-carbaldehyde
- Molecular formula
- C8H5BrO3
- Molecular weight
- 229.0275
Names & synonyms
56008-63-01,3-Benzodioxole-5-carboxaldehyde, 4-bromo-DTXSID10469260RefChem:217922DTXCID704200794-bromobenzo[d][1,3]dioxole-5-carbaldehyde4-Bromo-1,3-benzodioxole-5-carbaldehydeMFCD243874924-bromo-1,3-dioxaindane-5-carbaldehyde4-BROMO-2H-1,3-BENZODIOXOLE-5-CARBALDEHYDESCHEMBL10620285SCHEMBL30330011
Show more names
4-Bromo-1-benzodioxole-5-carbaldehyde
GCA00863SY2773834-Bromo-benzo[1,3]dioxole-5-carbaldehyde4-Bromo-1,3-benzodioxole-5-carboxaldehydeDB-396480CS-0356406EN300-746104F83770
Database identifiers
- CAS
56008-63-0- PubChem CID
- 11601059
- DTXSID
DTXSID10469260- EC Number
- 183-650-9
- Nikkaji
- J756.516J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers9 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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