Basic information
- CAS
88377-29-1- Standard SMILES
COc1cccc(C(=O)O)c1Br- InChIKey
AOGGEUOQUYCZAH-UHFFFAOYSA-N- Molecular formula
- C8H7BrO3
- Average molar mass
- 231.04 g/mol
- Monoisotopic mass
- 229.95786
Names & identifiers
- Preferred name
- 2-Bromo-3-methoxybenzoic acid
- IUPAC
- 2-bromo-3-methoxybenzoic acid
- English name
- 2-Bromo-3-methoxybenzoic acid
- Molecular formula
- C8H7BrO3
- Molecular weight
- 231.04
Names & synonyms
2-Bromo-3-methoxybenzoic acid88377-29-1DTXSID70237008RefChem:85677DTXCID30159499964-052-4AOGGEUOQUYCZAH-UHFFFAOYSA-NBenzoic acid, 2-bromo-3-methoxy-MFCD11848447SCHEMBL19978462-Bromo-3 methoxy benzoic acid2-bromo-3-(methyloxy)benzoic acid
Show more names
CL8024AKOS016013596CS-W005119DS-2889FS-3762SY1084722-Bromo-3-methoxybenzoicacid2-Bromo-3-methox
Database identifiers
- CAS
88377-29-1- PubChem CID
- 145162
- DTXSID
DTXSID70237008- EC Number
- 964-052-4
- Nikkaji
- J1.514.684B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 153 · 153-155 °C
- Boiling point
- 330.7 · 330.7±27.0 °C(Predicted)
- Density
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.73 · 2.73±0.10(Predicted)
- color
- Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2916310090 · 2916310090
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2916310090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P260-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers69 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
安徽合诺生物科技有限公司0555-2761852
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [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]
Related reactions
6 records
Compound notes
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