Basic information
- CAS
54150-69-5- Standard SMILES
COc1ccc([NH3+])c(OC)c1.[Cl-]- InChIKey
PFHRGNBFRBWOPD-UHFFFAOYSA-N- Molecular formula
- C8H12ClNO2
- Average molar mass
- 189.64 g/mol
- Monoisotopic mass
- 189.0556563
Overview
See also: 2,4-Dimethoxyaniline hydrochloride (preferred).
Names & identifiers
- Preferred name
- (2,4-Dimethoxyphenyl)azanium;chloride
- IUPAC
- (2,4-dimethoxyphenyl)azanium chloride
- English name
- 2,4-Dimethoxyaniline hydrochloride, 99
- Molecular formula
- C8H12ClNO2
- Molecular weight
- 189.63938
Names & synonyms
2,4-Dimethoxyaniline.HCl(2,4-dimethoxyphenyl)azanium;chloride2,4-DIMETHOXYANILINE HCLPFHRGNBFRBWOPD-UHFFFAOYSA-N2,4-dimethoxy-anilinhydrochloride2,4-dimethoxyanilinehydrochlorideSILICA GEL GRADE 22 60-200 MESH4-methoxy-o-anisidinehydrochloride2-methoxy-p-anisidinehydrochloride2,4-dimethoxy-benzenaminhydrochloride2,4-dimethoxybenzenaminehydrochloride2,4-Dimethoxyaniline hydrochloride, 99
Database identifiers
- CAS
54150-69-5- PubChem CID
- 41023
- UNII
- J74213T5RP
Properties
Computed structural properties
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 230 °C · 230 °C (dec.)(lit.)
- Toxicology and Carcinogenesis
- 2 · Bioassay of 2,4-Dimethoxyaniline Hydrochloride for Possible Carcinogenicity (CASRN 54150-69-5)
- FDA UNII
- 74213 T5RP · J74213T5RP
- EPA Substance Registry System
- 2 · 2,4-Dimethoxyaniline hydrochloride (54150-69-5)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H331-H301-H319-H311
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-36/37/38
- Safety Statements
- 26 · 26-28-36/37/39-45
- WGK Germany
- 3 · 3
- RTECS
- 4575000 · BX4575000
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
- 3
- rtecs
- BX4575000
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 26-28-36/37/39-45
- Hazard statements
- H315-H335-H331-H301-H319-H311
- Precautionary statements
- P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Applications
General DescriptionDark brown crystalline solid.
Suppliers2 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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