Basic information
- Standard SMILES
Cc1c(Cl)cc(N)cc1Cl- InChIKey
GTEUMCIATAHZFK-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2N
- Average molar mass
- 176.04 g/mol
- Monoisotopic mass
- 174.99555458
Names & identifiers
- Preferred name
- 3,5-Dichloro-4-methylaniline
- IUPAC
- 3,5-dichloro-4-methylaniline
- English name
- 3,5-Dichloro-4-methylaniline
- Molecular formula
- C7H7Cl2N
- Molecular weight
- 176.04
Names & synonyms
3,5-dichloro-4-methylaniline54730-35-7benzenamine, 3,5-dichloro-4-methyl-DTXSID30348861RefChem:271672DTXCID60299933InChI=1/C7H7Cl2N/c1-4-6(8)2-5(10)3-7(4)9/h2-3H,10H2,1HMFCD002663003,5-Dichloro-4-methylbenzenamineSCHEMBL1752160CL8410AKOS006238565
Show more names
SKL201
CS-W021813GS-3988EN300-550993,5-dichloro-4-methyl anilineAM82961A7959FT-0686967SY030147
Database identifiers
- CAS
54730-35-7- PubChem CID
- 641154
- DTXSID
DTXSID30348861- Nikkaji
- J89.891K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 57 · 57-59 °C
- Boiling point
- 284.6 · 284.6±35.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Solid
- pka
- 2.92 · 2.92±0.10(Predicted)
- color
- Beige to Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
8 records
Linked notes
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