2-Chloro-6-nitroaniline
Basic information
- CAS
769-11-9- Standard SMILES
Nc1c(Cl)cccc1[N+](=O)[O-]- InChIKey
VOTXWUCYIOPNNR-UHFFFAOYSA-N- Molecular formula
- C6H5ClN2O2
- Average molar mass
- 172.57 g/mol
- Monoisotopic mass
- 172.0039551
Names & identifiers
- Preferred name
- 2-Chloro-6-nitroaniline
- IUPAC
- 2-chloro-6-nitroaniline
- English name
- 2-Chloro-6-nitroaniline
- Molecular formula
- C6H5ClN2O2
- Molecular weight
- 172.57
Names & synonyms
2-Chloro-6-nitroaniline769-11-9EINECS 212-204-92-Chloro-6-nitrobenzenamineDTXSID60227690NSC 37398RefChem:469717DTXCID10150181212-204-9Benzenamine, 2-chloro-6-nitro-6-Chloro-2-nitroanilineAniline, 2-chloro-6-nitro-
Show more names
2-Chloro-6-nitroaniline 97%2-Amino-3-chloronitrobenzene2-Chloro-6-nitroaniline, 95+%2-CHLORO-6-NITROANILINE ISO 9001：2015 REACH
MFCD00179568NSC37398NSC-373982-Chloro-6-nitro-phenylamineEN300-534732-Chloro-6-nitro aniline2-nitro-6-chloroaniline2-chloro-6-nitro-aniline
Database identifiers
- CAS
769-11-9- PubChem CID
- 69855
- DTXSID
DTXSID60227690- UNII
- R43Y9JM7M3
- EC Number
- 212-204-9
- Nikkaji
- J140.779A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 74 · 74-75 °C
- Boiling point
- 284.3 · 284.3±20.0 °C(Predicted)
- Density
- 1.494 · 1.494±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1 · pK1: 2.41(+1) (25°C)
- form
- crystals
- color
- Yellow
- CAS DataBase Reference
- 769 · 769-11-9(CAS DataBase Reference)
- FDA UNII
- 43 Y9JM7M3 · R43Y9JM7M3
- Comptox DTXSID
- 60227690 · DTXSID60227690
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2921420090 · 2921420090
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
H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95%)
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302-H317
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-Chloro-6-nitroaniline has been used as a reagent for the synthesis of azides and anions.
Preparation methods
Preparation2-Chloro-6-nitroaniline can be obtained by reacting naphthalene with nitric acid in the presence of a proton donor.
Upstream & downstream products
Downstream products
Related reactions
11 records
Compound notes
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