3,5-Dibromo-2-methoxybenzoic acid
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Basic information
- CAS
13130-23-9- Standard SMILES
COc1c(Br)cc(Br)cc1C(=O)O- InChIKey
GDGFGZWIQSUSAX-UHFFFAOYSA-N- Molecular formula
- C8H6Br2O3
- Average molar mass
- 309.94 g/mol
- Monoisotopic mass
- 307.86837
Names & identifiers
- Preferred name
- 3,5-Dibromo-2-methoxybenzoic acid
- IUPAC
- 3,5-dibromo-2-methoxybenzoic acid
- English name
- 3,5-DIBROMO-2-METHOXYBENZOIC ACID
- Molecular formula
- C8H6Br2O3
- Molecular weight
- 309.94
Names & synonyms
3,5-dibromo-2-methoxybenzoic acid13130-23-9benzoic acid, 3,5-dibromo-2-methoxy-DTXSID40349167RefChem:91422DTXCID00300239630-209-8InChI=1/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,123,5-Dibromo-2-methoxybenzenecarboxylic acidMFCD000165103,5-Dibromo-2-methoxy-benzoic acid3,5-DIBROMO-2-ANISIC ACID
Show more names
AKOS BB-7804ASISCHEM B52487ART-CHEM-BB B025211TIMTEC-BB SBB009761RARECHEM AL BE 0876SALOR-INT L255564-1EA3,5-DIBROMO-2-METHOXYBENZOIC2-Methoxy-3,5-dibromobenzoic acid
Oprea1_529583MLS000073476SCHEMBL7813490CHEMBL1602522JS-109C3,5-dibromo-2-methoxybenzoicacidHMS2397H09SBB009761
Database identifiers
- CAS
13130-23-9- PubChem CID
- 643392
- DTXSID
DTXSID40349167- ChEMBL
CHEMBL1602522- EC Number
- 630-209-8
- Nikkaji
- J1.122.349D
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 198 · 198-200°
- Boiling point
- 373.3 · 373.3±42.0 °C(Predicted)
- Density
- 1.957 · 1.957
- storage temp.
- 2 · 2-8°C
- pka
- 3.31 · 3.31±0.10(Predicted)
- form
- solid
- color
- off white
- CAS DataBase Reference
- 13130 · 13130-23-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- 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.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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