Basic information
- CAS
15307-93-4- Standard SMILES
Clc1cccc(Cl)c1Nc1ccccc1- InChIKey
HDUUZPLYVVQTKN-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2N
- Average molar mass
- 238.11 g/mol
- Monoisotopic mass
- 237.0112047
Names & identifiers
- Preferred name
- 2,6-Dichloro-N-phenylaniline
- IUPAC
- 2,6-dichloro-N-phenylaniline
- English name
- 2,6-Dichlorodiphenylamine
- Molecular formula
- C12H9Cl2N
- Molecular weight
- 238.11
Names & synonyms
Show more names
Database identifiers
- CAS
15307-93-4- PubChem CID
- 84867
- DTXSID
DTXSID90165213- UNII
- D5D4MZM3NW
- EC Number
- 239-349-0
- Nikkaji
- J29.650C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 50 · 50-53 °C(lit.)
- Boiling point
- 115 °C · 115 °C(Press: 0.01 Torr)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -2.57 · -2.57±0.40(Predicted)
- color
- Pale brown
- BRN
- 2725987 · 2725987
- InChI
- InChI=1S/C12H9Cl2N/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9/h1-8,15H
- InChIKey
- HDUUZPLYVVQTKN-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2)=C(Cl)C=CC=C1Cl
- CAS DataBase Reference
- 15307 · 15307-93-4(CAS DataBase Reference)
- FDA UNII
- 5 D4MZM3NW · D5D4MZM3NW
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
- Hazard Codes
- Xi,N
- Risk Statements
- 36 · 36/37/38-50/53-36/38
- Safety Statements
- 26 · 26-36-61-60
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
- HS Code
- 29214200 · 29214200
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (93.2%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (93.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 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
Regulatory information
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29214200
- risk_code
- 36/37/38-50/53-36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
- safety_code
- 26-36-61-60
- Hazard statements
- H315-H319-H410
- REACH Registrations
- Active
- Precautionary statements
- P264-P273-P280-P302+P352-P305+P351+P338-P332+P313
Chemistry & industry
Applications
UsesN-(2,6-Dichlorophenyl)aniline is an analog of Diclofenac (D436450), a nonsteroidal anti-inflammatory compound an decycloxygenase (COX) inhibitor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
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