Basic information
- CAS
69038-76-2- Standard SMILES
CNc1ccc(Br)cc1N- InChIKey
JGXCXQPNYWBAGW-UHFFFAOYSA-N- Molecular formula
- C7H9BrN2
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.99491
Names & identifiers
- Preferred name
- 4-Bromo-N1-methylbenzene-1,2-diamine
- IUPAC
- 4-bromo-1-N-methylbenzene-1,2-diamine
- English name
- 4-broMo-N1-Methylbenzene-1,2-diaMine
- Molecular formula
- C7H9BrN2
- Molecular weight
- 201.06
Names & synonyms
4-Bromo-N1-methylbenzene-1,2-diamine69038-76-24-bromo-1-N-methylbenzene-1,2-diamine4-BROMO-N1-METHYL-BENZENE-1,2-DIAMINEMFCD106931511,2-Benzenediamine, 4-bromo-N1-methyl-4-Bromo-N1-methyl-1,2-benzenediamineSCHEMBL956895AKOS005205898CCG-3025835-Bromo-N1-methyl-1,2-benzenediamineSB38338
Show more names
tert-butyl 3-allyl-3-hydroxyazetidine-6-carboxylate
SY260087EN300-45067AM877335-Bromo-2-(methylamino)anilineCHEMBL5306629JGXCXQPNYWBAGW-UHFFFAOYSA-NDTXSID401289564UCA03876
Database identifiers
- CAS
69038-76-2- PubChem CID
- 11298593
- DTXSID
DTXSID401289564- ChEMBL
CHEMBL5306629- EC Number
- 876-312-3
- Nikkaji
- J1.802.841G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 298.2 · 298.2±30.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 5.48 · 5.48±0.11(Predicted)
- Appearance
- Light brown to brown Solid
- InChI
- InChI=1S/C7H9BrN2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,10H,9H2,1H3
- InChIKey
- JGXCXQPNYWBAGW-UHFFFAOYSA-N
- SMILES
- C1(NC)=CC=C(Br)C=C1N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P280
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers70 total
上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安徽勇晟医药科技有限公司181-3307-5798 18017383231 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
14 records
Compound notes
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