4-Methoxyanilinium chloride
Basic information
- CAS
20265-97-8- Standard SMILES
COc1ccc([NH3+])cc1.[Cl-]- InChIKey
VQYJLACQFYZHCO-UHFFFAOYSA-N- Molecular formula
- C7H10ClNO
- Average molar mass
- 159.61 g/mol
- Monoisotopic mass
- 159.0450916
Overview
See also: 4-Anisidine hydrochloride (preferred).
Names & identifiers
- Preferred name
- 4-Methoxyanilinium chloride
- IUPAC
- (4-methoxyphenyl)azanium chloride
- English name
- p-Anisidine hydrochloride
- Molecular formula
- C7H10ClNO
- Molecular weight
- 159.61
Names & synonyms
4-methoxyanilinium chloridep-ANISIDINE HCl(4-methoxyphenyl)azanium;chlorideNS00084402nci-c03758TIMTEC-BB SBB007919p-MethoxyanilineHClP-ANISIDINIUM CHLORIDE4-anisidinehydrochloridep-Anisidine hydrochloridep-anisylaminehydrochlorideOmeprazole Impurity 28 HCl
Show more names
P-AMINOANISOL HYDROCHLORIDE
Database identifiers
- CAS
20265-97-8- PubChem CID
- 30085
Properties
Computed structural properties
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 77
Physicochemical properties
- Melting point
- 216 · 216-219 °C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- color
- Off-white to pinkish to gray-brown
- Water Solubility
- within almost transparency
- Stability
- Hygroscopic
- InChI
- 1S/C7H9NO.ClH/c1-9-7-4-2-6(8)3-5-7;/h2-5H,8H2,1H3;1H
- InChIKey
- VQYJLACQFYZHCO-UHFFFAOYSA-N
- SMILES
- [Cl-].[N+H3]c1ccc(cc1)OC
- Toxicology and Carcinogenesis
- Bioassay of p-Anisidine Hydrochloride for Possible Carcinogenicity (CASRN 20265-97-8)
- CAS DataBase Reference
- 20265 · 20265-97-8(CAS DataBase Reference)
- FDA UNII
- 7 C4R75N8VG · 7C4R75N8VG
- EPA Substance Registry System
- p-Anisidine hydrochloride (20265-97-8)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- rtecs
- BZ6600000
- ridadr
- 2811
- hs_code
- 29222900
- Toxicity
- mmo-sat 33 mg/plate ENMUDM 7(Suppl 5),1,85
- risk_code
- 33-26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- T+
- safety_code
- 45-36/37/39-28A-1
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312-H315-H317-H319-H334-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
General DescriptionGrayish-black crystalline solid or brown crystals.
Upstream & downstream products
Downstream products
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Compound notes
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