Basic information
- CAS
123278-07-9- Standard SMILES
Cc1ccc(Br)c(C)c1C(=O)O- InChIKey
KSSHISAHZOMUES-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859
Names & identifiers
- Preferred name
- 3-Bromo-2,6-dimethylbenzoic acid
- IUPAC
- 3-bromo-2,6-dimethylbenzoic acid
- English name
- Benzoic acid, 3-broMo-2,6-diMethyl-
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
3-bromo-2,6-dimethylbenzoic acid123278-07-9DTXSID90429105RefChem:277259DTXCID90379939842-181-6Benzoic acid, 3-bromo-2,6-dimethyl-MFCD092608243-bromo-2,6-dimethyl-benzoic acidAE-562/43287091SCHEMBL1085313SCHEMBL29693892
Show more names
3-bromo-2,6-dimethylbenzoicacidKSSHISAHZOMUES-UHFFFAOYSA-NYEA27807CL9715SBB097394AKOS023787239AS-46468SY139030
Database identifiers
- CAS
123278-07-9- PubChem CID
- 8167142
- DTXSID
DTXSID90429105- EC Number
- 842-181-6
- Nikkaji
- J2.007.302K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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 (66.7%): 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)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers22 total
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司
Related reactions
4 records
Compound notes
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