Basic information
- CAS
94670-76-5- Standard SMILES
Brc1cc2c(cc1I)OCO2- InChIKey
IKAMVDCUIDIBOG-UHFFFAOYSA-N- Molecular formula
- C7H4BrIO2
- Average molar mass
- 326.91 g/mol
- Monoisotopic mass
- 325.84393947
Names & identifiers
- Preferred name
- 5-Bromo-6-iodobenzo[d][1,3]dioxole
- IUPAC
- 5-bromo-6-iodo-1,3-benzodioxole
- English name
- 1,3-Benzodioxole, 5-broMo-6-iodo-
- Molecular formula
- C7H4BrIO2
- Molecular weight
- 326.91
Names & synonyms
5-Bromo-6-iodobenzo[d][1,3]dioxole94670-76-55-bromo-6-iodo-1,3-benzodioxole5-bromo-6-iodo-benzo[1,3]dioxole5-BROMO-6-IODO-BENZO(1,3)DIOXOLE5-BROMO-6-IODO-2H-1,3-BENZODIOXOLESCHEMBL1743402DTXSID70393552IKAMVDCUIDIBOG-UHFFFAOYSA-N5-bromo-6-iodo~benzo[1,3]dioxoleMFCD001834755-bromo-6-iodo-benzo[1,3]-dioxole
Show more names
1-bromo-2-iodo-4,5-(methylenedioxy)benzene
1,3-Benzodioxole, 5-bromo-6-iodo-AKOS016013286DB-123895H69387
Database identifiers
- CAS
94670-76-5- PubChem CID
- 3549864
- DTXSID
DTXSID70393552- Nikkaji
- J685.197E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 314.1 · 314.1±42.0 °C(Predicted)
- Density
- 2.354 · 2.354±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety data
- hs_code
- 2932990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海广洋嘉莉生物科技有限公司13127532723 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
上海广洋嘉莉生物科技有限公司13407521611 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
4 records
Compound notes
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