Basic information
- CAS
94111-75-8- Standard SMILES
O=C(O)c1cc(CBr)cc(CBr)c1- InChIKey
RZTUPNXWTOBHSY-UHFFFAOYSA-N- Molecular formula
- C9H8Br2O2
- Average molar mass
- 307.97 g/mol
- Monoisotopic mass
- 305.8891
Names & identifiers
- Preferred name
- 3,5-Bis(bromomethyl)benzoate
- IUPAC
- 3,5-bis(bromomethyl)benzoic acid
- English name
- 3,5-bis(bromomethyl)benzoic acid
- Molecular formula
- C9H8Br2O2
- Molecular weight
- 307.97
Names & synonyms
94111-75-83,5-bis(bromomethyl)benzoateDTXSID40304493RefChem:271477DTXCID102556253,5-bis(bromomethyl)benzoic acidMFCD22492793NSC165912SCHEMBL22267593,5-bis(bromomethyl)benzoicacidBenzoic acid, 3,5-bis(bromomethyl)-NSC-165912
Show more names
SY269948F824190
Database identifiers
- CAS
94111-75-8- PubChem CID
- 296111
- DTXSID
DTXSID40304493- Nikkaji
- J940.708A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 410.5 · 410.5±45.0 °C(Predicted)
- Density
- 1.913 · 1.913±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.96 · 3.96±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H341
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H311-H331-H341
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
德州博腾精细化工有限公司[email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
上海锐恩生物科技有限公司21-64985567 13524767716 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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