3-Chlorodiphenylamine
Basic information
- CAS
101-17-7- Standard SMILES
Clc1cccc(Nc2ccccc2)c1- InChIKey
OHHIBZKYXJDQEU-UHFFFAOYSA-N- Molecular formula
- C12H10ClN
- Average molar mass
- 203.67 g/mol
- Monoisotopic mass
- 203.050177
Names & identifiers
- Preferred name
- 3-Chlorodiphenylamine
- IUPAC
- 3-chloro-N-phenylaniline
- English name
- 3-Chlorodiphenylamine
- Molecular formula
- C12H10ClN
- Molecular weight
- 203.67
Names & synonyms
3-Chlorodiphenylamine101-17-7Benzenamine, 3-chloro-N-phenyl-EINECS 202-922-0DTXSID70143615RefChem:500483DTXCID1066106202-922-03-chloro-n-phenylaniline3-Chloro-N-phenyl-benzenamineN-(3-Chlorophenyl)anilineMFCD00000590
Show more names
3-Chloro-dianilineM-ChlorodiphenylaMineLABOTEST-BB LT020850263-Chlorodiphenyl ether3-CHLORODIPHENYLAMINE 98%
3-Cl-DPAN-(3-Chlorophenyl)-N-phenylamineDiphenylamine, 3-chloro-NPC5U6JP9A3-chloro-N-phenyl-aniline(3-chlorophenyl)phenylamineN-phenyl-3-chloroaniline3-Chloro-N-phenylbenzenamine
Database identifiers
- CAS
101-17-7- PubChem CID
- 7545
- DTXSID
DTXSID70143615- UNII
- NPC5U6JP9A
- EC Number
- 202-922-0
- Nikkaji
- J37.747C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 112 °C · 112 °C(Solv: methanol (67-56-1))
- Boiling point
- 340 °C · 340 °C
- Density
- 1 · 1,21 g/cm3
- refractive index
- 1.6513 · 1.6513 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- -0.2 · -0.20±0.30(Predicted)
- form
- Oil
- color
- Pale Yellow to Yellow
- InChI
- InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
- InChIKey
- OHHIBZKYXJDQEU-UHFFFAOYSA-N
- SMILES
- C1(NC2=CC=CC=C2)=CC=CC(Cl)=C1
- CAS DataBase Reference
- 101 · 101-17-7(CAS DataBase Reference)
- FDA UNII
- 5 U6JP9A · NPC5U6JP9A
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 28-36/37
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-Chlorodiphenylamine (cas# 101-17-7) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
13 records
Compound notes
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