Basic information
- CAS
95-03-4- Standard SMILES
COc1ccc(Cl)cc1N- InChIKey
WBSMIPLNPSCJFS-UHFFFAOYSA-N- Molecular formula
- C7H8ClNO
- Average molar mass
- 157.6 g/mol
- Monoisotopic mass
- 157.02944156
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 5-Chloro-2-methoxyaniline
- IUPAC
- 5-chloro-2-methoxyaniline
- English name
- 5-Chloro-2-methoxyaniline
- Molecular formula
- C7H8ClNO
- Molecular weight
- 157.6
Names & synonyms
5-Chloro-2-methoxyaniline95-03-45-Chloro-o-anisidine5-Chloroanisidineo-Anisidine, 5-chloro-VC5QZR6YNJNSC-6114RefChem:102312202-385-22-Amino-4-chloroanisoleBenzenamine, 5-chloro-2-methoxy-Tulabase Fast Red R
Show more names
FAST RED RC BASEBenzenamine,5-chloro-2-methoxy-C.I.37120(base)Fast Red Salt RCKako Red RC BaseAKOS BBS-00003626oro-2-methoxyaniL5-Chloro-2-anisidine
2-Methoxy-5-chloroanilineTulabase Fast Red RC5-Chloro-2-methoxybenzenamine4-Chloro-2-aminoanisoleMFCD00007777NSC 61145-chloro-2-methoxyphenylamine(5-Chloro-2-methoxyphenyl)amine
Database identifiers
- CAS
95-03-4- PubChem CID
- 66763
- DTXSID
DTXSID0059116- UNII
- VC5QZR6YNJ
- EC Number
- 202-385-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 110
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 81 · 81-83 °C(lit.)
- Boiling point
- 135 °C · 135 °C (5.85078 mmHg)
- Density
- 1.176 · 1.1760 (rough estimate)
- refractive index
- 1.543 · 1.5430 (estimate)
- Flash point
- 136 °C · 136 °C
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- pka
- 3.48 · 3.48±0.10(Predicted)
- form
- Solid
- color
- Pale Grey to Light Grey
- BRN
- 879161 · 879161
- Stability
- Light Sensitive
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (15.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (15.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2233 6.1/PG 3
- hs_code
- 29222990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301+H311+H331-H315-H319-H335
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 5-chloro-2-methoxy-: ACTIVE
Applications
Uses5-Chloro-2-methoxybenzenamine is used in preparation of appetite-modulating molecules.
Preparation methods
Preparation4-Chloro-1-methoxy-2-nitrobenzene reduction.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
29 records
Compound notes
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