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Basic information
- CAS
611-00-7- Standard SMILES
O=C(O)c1ccc(Br)cc1Br- InChIKey
NAGGYODWMPFKJQ-UHFFFAOYSA-N- Molecular formula
- C7H4Br2O2
- Average molar mass
- 279.91 g/mol
- Monoisotopic mass
- 277.85780357
Names & identifiers
- Preferred name
- 2,4-Dibromobenzoic acid
- IUPAC
- 2,4-dibromobenzoic acid
- English name
- 2,4-DIBROMOBENZOIC ACID
- Molecular formula
- C7H4Br2O2
- Molecular weight
- 279.91
Names & synonyms
2,4-DIBROMOBENZOIC ACID611-00-7Benzoic acid, 2,4-dibromo-EINECS 210-245-7VN4H7899AADTXSID60209971RefChem:82302DTXCID10132462210-245-7MFCD002342532,4-Dibromobenzoicacid2,4-Dibrom-benzoesaure
Show more names
4-DIBROMOBENZOIC ACID2,4-DibromobenzoicAcid>2,4-Dibromobenzoicacid,98%2,4-Dibromine Benzoic Acids2,4-Dibromobenzoic acid,>97%2,4-DIBROMOBENZOIC ACID ISO 9001：2015 REACHHigh purity CAS 611-00-7 2,4-DIBROMOBENZOIC ACID in stock
2,4-dibromo-benzoic acidUNII-VN4H7899AASCHEMBL2780747SCHEMBL29853660CL8011SBB052783AKOS005257271AB05197
Database identifiers
- CAS
611-00-7- PubChem CID
- 11896
- DTXSID
DTXSID60209971- UNII
- VN4H7899AA
- EC Number
- 210-245-7
- Nikkaji
- J79.729D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 171 to · 171.0 to 175.0 °C
- Boiling point
- 336.6 · 336.6±32.0 °C(Predicted)
- Density
- 1.9661 · 1.9661 (rough estimate)
- refractive index
- 1.497 · 1.4970 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.62 · 2.62±0.10(Predicted)
- color
- White to Almost white
- InChI
- InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
- InChIKey
- NAGGYODWMPFKJQ-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(Br)C=C1Br
- FDA UNII
- 4 H7899AA · VN4H7899AA
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2,4-Dibromobenzoic acid is a benzoic acid compound with a reactive group bromine atom for copper-catalysed coupling reactions.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
Related reactions
7 records
Compound notes
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