Basic information
- CAS
73219-89-3- Standard SMILES
COc1ccc(Br)c(OC)c1C(=O)O- InChIKey
CUQANLQRQJHIQE-UHFFFAOYSA-N- Molecular formula
- C9H9BrO4
- Average molar mass
- 261.07 g/mol
- Monoisotopic mass
- 259.96842087
Names & identifiers
- Preferred name
- 3-Bromo-2,6-dimethoxybenzoic acid
- IUPAC
- 3-bromo-2,6-dimethoxybenzoic acid
- English name
- 3-Bromo-2,6-dimethoxybenzoic acid
- Molecular formula
- C9H9BrO4
- Molecular weight
- 261.07
Names & synonyms
3-bromo-2,6-dimethoxybenzoic acid73219-89-3DTXSID10379193RefChem:277255DTXCID60330219630-067-7MFCD000529333-bromo-2,6-dimethoxy-benzoic acidBenzoic acid, 3-bromo-2,6-dimethoxy-Maybridge1_0015963-Bromo-2,6-dimethoxybenzoicacidBUTTPARK 48\04-87
Show more names
3-Bromo-2,6-dimethoxybenzoic Acid b3-Bromo-2,6-dimethoxybenzoic acid , 97+%
06B2,6-Dimethoxy-3-bromobenzoic acidOprea1_5890123-bromo-2,6-dimethoxybenzoateSCHEMBL1323122HMS546A12CUQANLQRQJHIQE-UHFFFAOYSA-NCCG-44411
Database identifiers
- CAS
73219-89-3- PubChem CID
- 2774744
- DTXSID
DTXSID10379193- EC Number
- 630-067-7
- Nikkaji
- J1.814.786F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 146 °C · 146 °C
- Boiling point
- 359.8 · 359.8±42.0 °C(Predicted)
- Density
- 1.571 · 1.571±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- 3.59 · 3.59±0.10(Predicted)
- color
- White to Off-White
- CAS DataBase Reference
- 73219 · 73219-89-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
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
Danger
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)
Safety data
- hs_code
- 2918999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers42 total
天津羲泽润科技有限公司18622687818 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Aladdin Scientific[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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [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]
Related reactions
14 records
Compound notes
Loading…