2-Amino-3,5-dibromotoluene
Basic information
- CAS
30273-41-7- Standard SMILES
Cc1cc(Br)cc(Br)c1N- InChIKey
LOOOTYOQFFOBCI-UHFFFAOYSA-N- Molecular formula
- C7H7Br2N
- Average molar mass
- 264.94 g/mol
- Monoisotopic mass
- 262.89452
Names & identifiers
- Preferred name
- 2-Amino-3,5-dibromotoluene
- IUPAC
- 2,4-dibromo-6-methylaniline
- English name
- 2,4-Dibromo-6-methylaniline
- Molecular formula
- C7H7Br2N
- Molecular weight
- 264.95
Names & synonyms
30273-41-72-amino-3,5-dibromotolueneDTXSID30332548RefChem:255308DTXCID702836412,4-dibromo-6-methylanilineBenzenamine, 2,4-dibromo-6-methyl-2,4-dibromo-6-methylphenylamine2-amino-3, 5-dibromotolueneMFCD007356814,6-Dibromo-o-toluidine3,5-dibromo-2-aminotoluene
Show more names
TIMTEC-BB SBB0075832,4-dibromo-6-Methyanilne2-Methyl-4,6-dibromoaniline2,4-Dibromo-6-methylbenzenamine4,6-Dibromo-o-toluidine (NH2=1)
2,4-dibromo-6-methyl-anilineSY064169CS-0036156Bromhexine Impurity 23BCP193373-Oxa-8-azabicyclo(3,2,1)octaneSCHEMBL109929SCHEMBL10990385
Database identifiers
- CAS
30273-41-7- PubChem CID
- 458688
- DTXSID
DTXSID30332548- EC Number
- 675-652-8
- Nikkaji
- J88.653J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 44 · 44-49 °C
- Boiling point
- 281.2 · 281.2±35.0 °C(Predicted)
- Density
- 1.8413 · 1.8413 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 1.69 · 1.69±0.10(Predicted)
- Appearance
- Brown to black Solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H290
- Precautionary statements
- 501 · P501-P260-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26
- HS Code
- 2921490090 · 2921490090
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2921490090
- risk_code
- 36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 36/37/39-26
- Hazard statements
- H302-H314-H290
- Precautionary statements
- P501-P260-P270-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Applications
Uses2,4-Dibromo-6-methylaniline is used as a pharmaceutical intermediate in the production of the novel expectorant bromhexamine hydrochloride (Bisosup).
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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Compound notes
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