Basic information
- CAS
84972-58-7- Standard SMILES
COc1c(Cl)cc(N)cc1Br- InChIKey
RGXWSRHXXCULNQ-UHFFFAOYSA-N- Molecular formula
- C7H7BrClNO
- Average molar mass
- 236.49 g/mol
- Monoisotopic mass
- 234.93995
Names & identifiers
- Preferred name
- 3-Bromo-5-chloro-4-methoxyaniline
- IUPAC
- 3-bromo-5-chloro-4-methoxyaniline
- English name
- 3-Bromo-5-chloro-4-methoxyaniline
- Molecular formula
- C7H7BrClNO
- Molecular weight
- 236.49
Names & synonyms
3-BROMO-5-CHLORO-4-METHOXYANILINE84972-58-7MFCD151434493-Bromo-5-chloro-4-methoxybenzenamineSCHEMBL10755122DTXSID70603305RGXWSRHXXCULNQ-UHFFFAOYSA-N3-bromo-5-chloro-4-methoxy-anilineAKOS015834602BS-24257DB-366202CS-0211899
Show more names
Benzenamine, 3-bromo-5-chloro-4-methoxy-
H71377
Database identifiers
- CAS
84972-58-7- PubChem CID
- 20187601
- DTXSID
DTXSID70603305
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 316.7 · 316.7±37.0 °C(Predicted)
- Density
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 3.07 · 3.07±0.10(Predicted)
Chemistry & industry
Suppliers10 total
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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