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Basic information
- CAS
104670-74-8- Standard SMILES
COC(=O)c1cccc(Br)c1N- InChIKey
FGSIUBWPZRBMOC-UHFFFAOYSA-N- Molecular formula
- C8H8BrNO2
- Average molar mass
- 230.06 g/mol
- Monoisotopic mass
- 228.97384
Names & identifiers
- Preferred name
- Methyl 2-amino-3-bromobenzoate
- IUPAC
- methyl 2-amino-3-bromobenzoate
- English name
- Benzoic acid, 2-amino-3-bromo-, methyl ester
- Molecular formula
- C8H8BrNO2
- Molecular weight
- 230.06
Names & synonyms
METHYL 2-AMINO-3-BROMOBENZOATE104670-74-8DTXSID60469497RefChem:354013DTXCID50420315973-617-42-Amino-3-bromobenzoic acid methyl esterMethyl 2-amino-3-bromo-benzoateBenzoic acid, 2-amino-3-bromo-, methyl esterMFCD110428623-Bromoanthranilic acid methyl esterMethyl2-amino-3-bromobenzoate
Show more names
2-amino-3-bromo-Bromhexine Impurity 42Ethyl 3-bromo-2-aminobenzoate2-Amino-3-Bromo-, Methyl Ester
methyl 3-bromoanthranilateSCHEMBL1189085FGSIUBWPZRBMOC-UHFFFAOYSA-NCL9133AKOS010056767CS-W018624FM33251GS-4153
Database identifiers
- CAS
104670-74-8- PubChem CID
- 11615550
- DTXSID
DTXSID60469497- EC Number
- 973-617-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 47 · 47-48℃
- Boiling point
- 287.2 · 287.2±20.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 0.13 · 0.13±0.10(Predicted)
- color
- Light brown
- InChI
- InChI=1S/C8H8BrNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3
- InChIKey
- FGSIUBWPZRBMOC-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)C1=CC=CC(Br)=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H227
- Precautionary statements
- 501 · P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
- HS Code
- 2922498590 · 2922498590
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (50%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H227
- Precautionary statements
- P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
6 records
Compound notes
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