Basic information
- CAS
21650-49-7- Standard SMILES
COc1ccc(N=Nc2ccccc2)cc1- InChIKey
LGCRPKOHRIXSEG-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.094963
Names & identifiers
- Preferred name
- 4-Methoxyazobenzene
- IUPAC
- (4-methoxyphenyl)-phenyldiazene
- English name
- 4-METHOXYAZOBENZENE
- Molecular formula
- C13H12N2O
- Molecular weight
- 212.25
Names & synonyms
4-Methoxyazobenzene2396-60-3EINECS 219-250-9NSC 16044RefChem:524706219-250-91-(4-Methoxyphenyl)-2-phenyldiazenep-Methoxyazobenzene(Z)-4-MethoxyazobenzeneAzobenzene, 4-methoxy-p-Phenylazoanisole(4-methoxyphenyl)-phenyldiazene
Show more names
4-PHENYLAZOANISOLEMETHOXYAZOBENZENEp-(Phenylazo)anisol4-(Benzeneazo)anisolePARA-METHOXYAZOBENZENE4-Methoxyazobenzene>
MFCD0003980421650-49-7Diazene, (4-methoxyphenyl)phenyl-(E)-1-(4-Methoxyphenyl)-2-phenyldiazeneDiazene, (4-methoxyphenyl)phenyl-, (E)-(E)-(4-methoxyphenyl)(phenyl)diazene15516-72-0Azobenzene, 4-methoxy-, (E)-
Database identifiers
- CAS
21650-49-7、2396-60-3- PubChem CID
- 16966
- DTXSID
DTXSID00870967- ChEMBL
CHEMBL4162540、CHEMBL4177086- EC Number
- 219-250-9
- Nikkaji
- J105.156C、J142.088G、J142.089E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 54 · 54-56 °C
- Boiling point
- 340 °C · 340 °C
- Density
- 1.12 · 1.1200
- refractive index
- 1.692 · 1.6920 (estimate)
- form
- powder to crystal
- color
- Light yellow to Brown
- BRN
- 958054 · 958054
- InChI
- 1S/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3/b15-14+
- InChIKey
- LGCRPKOHRIXSEG-CCEZHUSRSA-N
- SMILES
- COc1ccc(cc1)\N=N\c2ccccc2
- CAS DataBase Reference
- 2396 · 2396-60-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-24/25
- WGK Germany
- 3 · 3
- HS Code
- 2927 · 2927.00.5000
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2927.00.5000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers2 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
Related reactions
3 records
Compound notes
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